SCHEMBL2564601

SCHEMBL2564601

NC(=O)Cc1ccc(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
CA2 P00918 2/20 0.42
RIPK1 Q13546 1/20 0.41
P2RX7 Q99572 7/20 0.41
ICMT O60725 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2151373 1.00 CES2 (0.43) CES2CES1CA2RIPK1P2RX7
SCHEMBL5419671 0.83 CES2 (0.43) CES2CES1CA2RIPK1P2RX7
SCHEMBL6864273 0.83 CES2 (0.46) CES2CES1CA2RIPK1P2RX7
SCHEMBL4599084 0.82 CES2 (0.45) CES2CES1RIPK1ICMTDPP4
SCHEMBL29718813 0.82 CES2 (0.45) CES2CES1RIPK1ICMTDPP4
SCHEMBL892933 0.81 CES2 (0.45) CES2CES1CA2RIPK1P2RX7
SCHEMBL29459927 0.81 CES2 (0.45) CES2CES1CA2RIPK1P2RX7
SCHEMBL30572329 0.80 MPO (0.46) CES2CES1CA2RIPK1P2RX7
Methyl Alcohol SCHEMBL3621979 0.80 RIPK1 (0.43) CES2CES1CA2RIPK1P2RX7
SCHEMBL2870153 0.79 RIPK1 (0.45) CES2CES1CA2RIPK1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022228449-A1 PREPARATION METHOD FOR POLYIMIDE RESIN AND THIN FILM THEREOF 上海瑞暨新材料科技有限公司 2022-11-03 WO claimed
CN-114516815-A Controllable defluorination deuteration method for polyfluoroamide 中国科学技术大学 2022-05-20 CN claimed
CN-113201136-B Preparation method of polyimide resin and film thereof 上海瑞暨新材料科技有限公司 2022-01-07 CN claimed
CN-113201136-A Preparation method of polyimide resin and film thereof 上海瑞暨新材料科技有限公司 2021-08-03 CN claimed
WO-2022228449-A1 PREPARATION METHOD FOR POLYIMIDE RESIN AND THIN FILM THEREOF 上海瑞暨新材料科技有限公司 2022-11-03 WO disclosed
CN-113201136-B Preparation method of polyimide resin and film thereof 上海瑞暨新材料科技有限公司 2022-01-07 CN disclosed
CN-113201136-A Preparation method of polyimide resin and film thereof 上海瑞暨新材料科技有限公司 2021-08-03 CN disclosed
WO-2011132048-A1 HETEROARYL COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICAL S.A. (CH) 2011-10-27 WO disclosed
EP-0117100-A1 Triazole antifungal agents Pfizer Limited (GB) 1984-08-29 EP disclosed