Butyl Formate

Butyl Formate

SCHEMBL4438325

CCCCOC=O.NC(O)=S.NC(O)=S.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butyl Formate SCHEMBL1691794 0.94 ATM (0.36) ATMHCAR2TSHRMAPTRAB9A
Butyl Formate SCHEMBL4875758 0.89 HPGD (0.39) ATMHCAR2TSHRMAPTRAB9A
Hexyl Formate SCHEMBL4879088 0.89 CA1 (0.41) HCAR2CA1CA2
Butyl Formate SCHEMBL27315053 0.88 LTA4H (0.39) ATMHCAR2TSHRTDP1L3MBTL1
Hexane SCHEMBL27786499 0.86 CA1 (0.36) ATMHCAR2TSHRMAPTRAB9A
Butyl Formate SCHEMBL28120465 0.86 ALDH1A1 (0.41) ATMHCAR2TSHRTDP1L3MBTL1
Butyl Formate SCHEMBL28056787 0.86 ATM (0.43) ATMHCAR2TSHRMAPTRAB9A
Propene SCHEMBL27946362 0.84 CA1 (0.36) HCAR2TSHRHPGDCA1CA2
Propylformate SCHEMBL27856733 0.84 HCAR2 (0.33) HCAR2CA1CA2
Butyl Formate SCHEMBL27835010 0.84 ATM (0.45) ATMHCAR2TSHRMAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117718-B1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECH CORP (US) 2017-05-10 EP claimed
CN-103433145-B Use the method for the beneficiation of mineral ore bodies of dithiocarbamate collector CYTEC TECH CORP (US) 2015-08-12 CN claimed
CN-101605608-B Dithiocarbamate collectors and their use in mineral processing CYTEC TECH CORP 2014-03-12 CN claimed
CN-103433145-A Novel dithiocarbamate collectors and their use in the beneficiation of mineral ore bodies CYTEC TECH CORP 2013-12-11 CN claimed
US-8376142-B2 Dithiocarbamate collectors and their use in the beneficiation of mineral ore bodies CYTEC TECHNOLOGY CORP. (US) 2013-02-19 US claimed
CN-101605608-A Novel dithiocarbamate collector and application thereof in mineral separation CYTEC TECH CORP (US) 2009-12-16 CN claimed
EP-2117718-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. (US) 2009-11-18 EP claimed
WO-2008097707-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. (US) 2008-08-14 WO claimed
US-20080185317-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICIATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. 2008-08-07 US claimed
EP-2117718-B1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECH CORP (US) 2017-05-10 EP disclosed
CN-103433145-B Use the method for the beneficiation of mineral ore bodies of dithiocarbamate collector CYTEC TECH CORP (US) 2015-08-12 CN disclosed
CN-101605608-B Dithiocarbamate collectors and their use in mineral processing CYTEC TECH CORP 2014-03-12 CN disclosed
CN-103433145-A Novel dithiocarbamate collectors and their use in the beneficiation of mineral ore bodies CYTEC TECH CORP 2013-12-11 CN disclosed
US-8376142-B2 Dithiocarbamate collectors and their use in the beneficiation of mineral ore bodies CYTEC TECHNOLOGY CORP. (US) 2013-02-19 US disclosed
CN-101605608-A Novel dithiocarbamate collector and application thereof in mineral separation CYTEC TECH CORP (US) 2009-12-16 CN disclosed
EP-2117718-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. (US) 2009-11-18 EP disclosed
WO-2008097707-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. (US) 2008-08-14 WO disclosed
US-20080185317-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICIATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. 2008-08-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080185317-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICIATION OF MINERAL ORE BODIES FTH1, FECH, SLC40A1 ATM 3541/4885HCAR2 3954/4885TSHR 696/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.