SCHEMBL24436792

SCHEMBL24436792

COC(=O)c1cccc(OC(F)(F)F)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.50
KCNK9 Q9NPC2 4/20 0.50
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.43
PDK2 Q15119 2/20 0.43
F2R P25116 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CFTR P13569 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CXCR2 P25025 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL2649114 0.85 KCNK3 (0.57) KCNK3KCNK9TSHRLMNASLC6A3
SCHEMBL2317350 0.83 KCNK3 (0.49) KCNK3KCNK9LMNAPDK2F2R
SCHEMBL3534227 0.83 KCNK3 (0.49) KCNK3KCNK9TSHRLMNASLC6A3
SCHEMBL1970631 0.81 ALB (0.52) KCNK3KCNK9TSHRHSD17B10ALDH1A1
Methyl 2-Hydroxy-3-Methoxybenzoate SCHEMBL1339162 0.81 TAS1R3 (0.56) TSHRLMNASLC6A3HSD17B10ALDH1A1
SCHEMBL27426756 0.80 KCNK3 (0.47) KCNK3KCNK9TSHRLMNASLC6A3
SCHEMBL27817026 0.79 F2R (0.44) KCNK3KCNK9TSHRPDK2F2R
SCHEMBL436278 0.79 L3MBTL1 (0.47) TSHRLMNASLC6A3SLC6A4PDK2
SCHEMBL1538293 0.78 TSHR (0.65) TSHRLMNASLC6A3PDK2HSD17B10
SCHEMBL7031810 0.78 KCNK3 (0.45) KCNK3KCNK9TSHRLMNASLC6A3

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
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed