SCHEMBL9238490

SCHEMBL9238490

CNCCCNC(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.36
EPHX1 P07099 1/20 0.36
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL3107552 0.83
SCHEMBL5911044 0.81 CYP2C19 (0.41)
SCHEMBL30762299 0.80 KDM4E (0.33) EPHX1
SCHEMBL3314752 0.78 EPHX1 (0.39) KISS1REPHX1SIGMAR1
SCHEMBL7084623 0.76 ALDH1A1 (0.35)
SCHEMBL339968 0.76
SCHEMBL20991730 0.76
SCHEMBL14288763 0.75 EPHX1 (0.33) KISS1REPHX1
SCHEMBL5911170 0.74
SCHEMBL28120308 0.74 ALDH1A1 (0.46) EPHX1

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
US-11952546-B2 Hydrogen sulphide and mercaptans scavenging compositions TOTAL MARKETING SERVICES (FR) 2024-04-09 US disclosed
EP-0666880-A1 CATALYST FOR THE PRODUCTION OF POLYURETHANES AND/OR POLYUREAS AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-08-16 EP disclosed
WO-1995006673-A1 CATALYST FOR THE PRODUCTION OF POLYURETHANES AND/OR POLYUREAS AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-03-09 WO disclosed