SCHEMBL22444547

SCHEMBL22444547

CCCCCCCCCC(C#N)OCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
THRB P10828 1/20 0.35
SMPD1 P17405 3/20 0.34
FDPS P14324 3/20 0.33
GPR84 Q9NQS5 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL22444434 1.00 OPRM1 (0.39) OPRM1TSHRLMNADNM1THRB
SCHEMBL22444561 1.00 OPRM1 (0.39) OPRM1TSHRLMNADNM1THRB
SCHEMBL22444505 0.98 OPRM1 (0.41) OPRM1TSHRLMNADNM1THRB
SCHEMBL28662298 0.91 TSHR (0.40) OPRM1TSHRLMNADNM1THRB
SCHEMBL555910 0.84
SCHEMBL29119126 0.81 DNM1 (0.44) TSHRDNM1THRB
SCHEMBL29119220 0.81 DNM1 (0.44) TSHRDNM1THRB
SCHEMBL29119223 0.81 DNM1 (0.44) TSHRDNM1THRB
SCHEMBL22444421 0.80 TSHR (0.39) OPRM1TSHRLMNADNM1THRB
SCHEMBL22444472 0.80 TSHR (0.39) OPRM1TSHRLMNADNM1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed