Butyl Formate

Butyl Formate

SCHEMBL4875758

C=CC.CCCCOC=O.NC(O)=S.NC(O)=S

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
Propene SCHEMBL27946362 0.95 CA1 (0.36) HPGDTSHRHCAR2CA1CA2
Hexyl Formate SCHEMBL27946361 0.93 CA1 (0.37) TSHRHCAR2CA1CA2
Butyl Formate SCHEMBL1691794 0.91 ATM (0.36) HPGDTSHRHCAR2ATMMAPT
Butyl Formate SCHEMBL4438325 0.89 ATM (0.35) HPGDTSHRHCAR2ATMMAPT
Hexyl Formate SCHEMBL4879088 0.85 CA1 (0.41) HCAR2CA1CA2
Hexane SCHEMBL27786499 0.83 CA1 (0.36) TSHRHCAR2ATMMAPTRAB9A
Butyl Formate SCHEMBL28056787 0.83 ATM (0.43) HPGDTSHRHCAR2ATMMAPT
Propylformate SCHEMBL27856733 0.81 HCAR2 (0.33) HCAR2CA1CA2
Butyl Formate SCHEMBL27835010 0.81 ATM (0.45) HPGDTSHRHCAR2ATMMAPT
Butyl Formate SCHEMBL18813685 0.80 ACHE (0.39) MAPTNPSR1ALDH1A1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-8376142-B2 Dithiocarbamate collectors and their use in the beneficiation of mineral ore bodies CYTEC TECHNOLOGY CORP. (US) 2013-02-19 US 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 HPGD 3739/4885TSHR 696/4885HCAR2 3954/4885

“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.