SCHEMBL9006948

SCHEMBL9006948

C#CCCCC(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.35
ACE2 Q9BYF1 1/20 0.32
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8179631 0.93 LMNA (0.39) TSHRLMNAACE2USP2CYP3A4
SCHEMBL6709752 0.86 ACE2 (0.47) LMNAACE2USP2CYP3A4SMN1; SMN2
SCHEMBL4905767 0.83
SCHEMBL28162919 0.81 ACE2 (0.36) TSHRLMNAACE2
SCHEMBL2119595 0.79 LMNA (0.33) LMNAUSP2CYP3A4SMN1; SMN2
SCHEMBL1453588 0.76
SCHEMBL2117029 0.76 TSHR (0.39) TSHRLMNAACE2
SCHEMBL11580458 0.76 USP2 (0.39) LMNAUSP2CYP3A4SMN1; SMN2
SCHEMBL1410794 0.76 TSHR (0.39) TSHRLMNAACE2
SCHEMBL2507975 0.76 LMNA (0.56) TSHRLMNAACE2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8099932-A None JP disclosed
CN-107074757-B The manufacturing method of trifluoromethyl alkylthio chemical combination object 组合化学工业株式会社 2019-05-03 CN disclosed
CN-107074757-A The manufacture method of trifluoromethyl alkylthio compound 组合化学工业株式会社 2017-08-18 CN disclosed
JP-H0899932-A SEX ATTRACTANT FOR EUPROCTIS TAIWANA NORIN SUISANSYO SANSHI KONCHU NOGYO GIJUTSU KENKYUSHO 1996-04-16 JP disclosed