Hexyl Formate

Hexyl Formate

SCHEMBL4879088

CCCCCC.CCCCCCOC=O.NC(O)=S.NC(O)=S

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.41
CA2 P00918 11/20 0.41
CA9 Q16790 10/20 0.41
CA12 O43570 6/20 0.41
HCAR2 Q8TDS4 1/20 0.41
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 5/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
LPAR1 Q92633 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
NAAA Q02083 1/20 0.38

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
Hexyl Formate SCHEMBL27946361 0.93 CA1 (0.37) CA1CA2CA9CA12HCAR2
Propene SCHEMBL27946362 0.91 CA1 (0.36) CA1CA2CA9CA12HCAR2
Hexane SCHEMBL27786499 0.90 CA1 (0.36) CA1CA2CA9CA12HCAR2
Butyl Formate SCHEMBL1691794 0.90 ATM (0.36) CA1CA2CA9CA12HCAR2
Butyl Formate SCHEMBL4438325 0.89 ATM (0.35) CA1CA2HCAR2
Octane SCHEMBL7865572 0.86 MEN1 (0.37)
SCHEMBL93202 0.85 TSHR (0.46) CA1CA2CA9CA12LPAR3
SCHEMBL55804 0.85 TSHR (0.46) CA1CA2CA9CA12LPAR3
SCHEMBL77313 0.85 TSHR (0.46) CA1CA2CA9CA12LPAR3
SCHEMBL156980 0.85 TSHR (0.46) CA1CA2CA9CA12LPAR3

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 3 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 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 CA1 50/4885CA2 39/4885CA9 195/4885

“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.