SCHEMBL22444541

SCHEMBL22444541

CCCCCCCC(C#N)OC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
LMNA P02545 1/20 0.38
DNM1 Q05193 2/20 0.37
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
SMPD1 P17405 3/20 0.35
FDPS P14324 3/20 0.34
GPR84 Q9NQS5 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL22444437 1.00 TSHR (0.39) TSHRZDHHC7LMNADNM1THRB
SCHEMBL22444421 1.00 TSHR (0.39) TSHRZDHHC7LMNADNM1THRB
SCHEMBL22444472 1.00 TSHR (0.39) TSHRZDHHC7LMNADNM1THRB
SCHEMBL8468820 1.00 TSHR (0.39) TSHRZDHHC7LMNADNM1THRB
SCHEMBL7060746 0.98 TSHR (0.40) TSHRZDHHC7LMNADNM1THRB
SCHEMBL14659914 0.91
SCHEMBL556891 0.83
SCHEMBL16926970 0.81 TSHR (0.42) TSHRZDHHC7LMNADNM1THRB
SCHEMBL22444561 0.80 OPRM1 (0.39) TSHRZDHHC7LMNADNM1THRB
SCHEMBL22444434 0.80 OPRM1 (0.39) TSHRZDHHC7LMNADNM1THRB

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