SCHEMBL22444484

SCHEMBL22444484

CCCCC(N=C=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
OPRM1 P35372 1/20 0.32
TP53 P04637 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
SCHEMBL23797166 0.94 OPRM1 (0.40) FDPSOPRM1TP53
SCHEMBL22444837 0.92 OPRM1 (0.39) FDPSOPRM1TP53
SCHEMBL22444448 0.92 OPRM1 (0.39) FDPSOPRM1TP53
SCHEMBL23797170 0.92 OPRM1 (0.39) FDPSOPRM1TP53
SCHEMBL22444467 0.92 OPRM1 (0.39) FDPSOPRM1TP53
SCHEMBL23797193 0.88 THRB (0.31)
SCHEMBL10525172 0.86 CYP1A2 (0.37)
SCHEMBL23797192 0.86 FDPS (0.32) FDPS
SCHEMBL22444833 0.86 FDPS (0.32) FDPS
SCHEMBL16949968 0.83 CA2 (0.31) FDPSOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
US-20230086342-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2023-03-23 US disclosed
EP-4118161-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2023-01-18 EP disclosed
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-2021180709-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2021-09-16 WO disclosed
EP-3878914-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2021-09-15 EP 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