SCHEMBL9823768

SCHEMBL9823768

COc1ccc(NCC(F)(F)F)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.55
TUBB P07437 5/20 0.55
TUBA3C P0DPH7 5/20 0.55
TUBA1B P68363 5/20 0.55
TUBA4A P68366 5/20 0.55
TUBB4B P68371 5/20 0.55
TUBB3 Q13509 5/20 0.55
TUBB2A Q13885 5/20 0.55
TUBB8 Q3ZCM7 5/20 0.55
TUBA3E Q6PEY2 5/20 0.55
TUBA1A Q71U36 5/20 0.55
TUBA1C Q9BQE3 5/20 0.55
TUBB6 Q9BUF5 5/20 0.55
TUBB2B Q9BVA1 5/20 0.55
TUBB1 Q9H4B7 5/20 0.55
MPO P05164 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 3/20 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
SCHEMBL8770011 0.81 GAA (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8156015 0.81 L3MBTL1 (0.49) TUBB1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL15934274 0.80 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3859668 0.80 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3140338 0.80 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9824239 0.78 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15934308 0.77 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15934282 0.76 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15934214 0.76 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3208022 0.75 POLB (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269914-B1 COMPOSITION AND PROCESS FOR THE OXIDATIVE DYEING OF HAIR ON THE BASIS OF 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES, AND 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 1991-06-12 EP claimed
US-4923479-A HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 1990-05-08 US claimed
WO-1988004166-A1 HAIR DYEING OXIDISING AGENT AND PROCESS WITH 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES AND NEW 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES WELLA AKTIENGESELLSCHAFT (DE) 1988-06-16 WO claimed
EP-0269914-B1 COMPOSITION AND PROCESS FOR THE OXIDATIVE DYEING OF HAIR ON THE BASIS OF 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES, AND 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 1991-06-12 EP disclosed
US-4923479-A HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
WO-1988004166-A1 HAIR DYEING OXIDISING AGENT AND PROCESS WITH 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES AND NEW 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES WELLA AKTIENGESELLSCHAFT (DE) 1988-06-16 WO disclosed