SCHEMBL2998505

SCHEMBL2998505

C=Cc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR3 P46089 1/20 0.39
SCN5A Q14524 1/20 0.39
KDM4E B2RXH2 1/20 0.37
APP P05067 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL18561113 0.83 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL498377 0.82 ALDH1A1 (0.56) ALDH1A1MAPTCYP2C9CYP17A1CYP2C19
SCHEMBL9823871 0.82 HTT (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17829482 0.80 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14341692 0.80 CHRNA7 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9823527 0.80 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL245370 0.80 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL887953 0.80 CHRNA7 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6796507 0.80 ALDH1A1 (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13626326 0.79 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652364-A High-strength crosslinked poly (styrene-isobutylene-styrene) and preparation method thereof 复旦大学 2024-09-17 CN claimed
EP-4245750-A1 AMINO-COMBRETASTATIN DERIVATIVE AND USE THEREOF YIWUHUAYAO PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-09-20 EP claimed
EP-0174769-B1 ANTIFUNGAL AZOLE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-21 EP claimed
US-4925863-A 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US claimed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP claimed
JP-62289538-A None JP disclosed
CN-118652364-A High-strength crosslinked poly (styrene-isobutylene-styrene) and preparation method thereof 复旦大学 2024-09-17 CN disclosed
CN-118652364-A High-strength crosslinked poly (styrene-isobutylene-styrene) and preparation method thereof 复旦大学 2024-09-17 CN disclosed
EP-4245750-A1 AMINO-COMBRETASTATIN DERIVATIVE AND USE THEREOF YIWUHUAYAO PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-09-20 EP disclosed
US-7787085-B2 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2010-08-31 US disclosed
CN-1450394-B Optical alignment method and liquid crystal display element JSR CORP 2010-04-28 CN disclosed
US-20080123046-A1 OPTICAL ALIGNMENT METHOD AND LIQUID CRYSTAL DISPLAY ELEMENT JSR CORPORATION (JP) 2008-05-29 US disclosed
US-20050259203-A1 Optical alignment method and liquid crystal display element JSR CORPORATION (JP) 2005-11-24 US disclosed
CN-1450394-A Optical alignment method and liquid crystal display element JSR CORP (JP) 2003-10-22 CN disclosed
EP-1353217-A1 Optical alignment method and liquid crystal display element JSR Corporation (JP) 2003-10-15 EP disclosed
US-20030087045-A1 Liquid crystal aligning agent and liquid crystal display element JSR CORPORATION (JP) 2003-05-08 US disclosed
EP-0174769-B1 ANTIFUNGAL AZOLE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-21 EP disclosed
US-4925863-A 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
JP-S62289538-A FLUOROALKYL-SUBSTITUTED STYRENE DERIVATIVE SAGAMI CHEM RES CENTER 1987-12-16 JP disclosed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP disclosed