SCHEMBL22444510

SCHEMBL22444510

CCCOCCCCCCCCCCN=C=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
CES2 O00748 2/20 0.34
USP2 O75604 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 3/20 0.31
SPHK2 Q9NRA0 1/20 0.31
LPAR5 Q9H1C0 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
SCHEMBL23797144 1.00 NAAA (0.38) NAAAHTTMEN1THRBKMT2A
SCHEMBL22444454 1.00 NAAA (0.38) NAAAHTTMEN1THRBKMT2A
SCHEMBL30631636 1.00 NAAA (0.38) NAAAHTTMEN1THRBKMT2A
SCHEMBL22444834 1.00 NAAA (0.38) NAAAHTTMEN1THRBKMT2A
SCHEMBL22444494 1.00 NAAA (0.38) NAAAHTTMEN1THRBKMT2A
SCHEMBL22444512 0.98 NAAA (0.34) NAAAHTTMEN1THRBKMT2A
SCHEMBL23797156 0.92 NAAA (0.47) NAAAHTTMEN1THRBKMT2A
SCHEMBL23797179 0.92 NAAA (0.42) NAAAHTTMEN1THRBKMT2A
SCHEMBL23797173 0.92 NAAA (0.47) NAAAHTTMEN1THRBKMT2A
SCHEMBL23797145 0.92 NAAA (0.47) NAAAHTTMEN1THRBKMT2A

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