SCHEMBL9364207

SCHEMBL9364207

CCCCN(C(=O)C(F)(F)F)c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.39
ALDH1A1 P00352 1/20 0.38
SOAT1 P35610 1/20 0.37
MLYCD O95822 1/20 0.37
HTR7 P34969 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL9337221 0.86 RIPK1 (0.46) RIPK1ALDH1A1SOAT1
SCHEMBL9359593 0.84 CYP3A4 (0.43) RIPK1ALDH1A1SOAT1MLYCDHTR7
SCHEMBL9794550 0.84 SOAT1 (0.45) RIPK1ALDH1A1SOAT1
SCHEMBL9340727 0.82 RIPK1 (0.44) RIPK1ALDH1A1SOAT1
SCHEMBL9794539 0.82 RIPK1 (0.50) RIPK1SOAT1
SCHEMBL11256305 0.80 THRA (0.38) ALDH1A1MLYCD
SCHEMBL11427360 0.76 SOAT1 (0.39) ALDH1A1SOAT1HTR7
SCHEMBL5537674 0.74 CES2 (0.42) RIPK1ALDH1A1
SCHEMBL9363884 0.74 RIPK1 (0.46) RIPK1
SCHEMBL9794587 0.73 MEN1 (0.47) ALDH1A1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318893-B1 Titanocenes, their use and N-substituted fluoroanilines CIBA GEIGY AG (CH) 1994-01-19 EP disclosed
US-5026625-A Photoinitiators for polymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed
EP-0318893-A2 Titanocenes, their use and N-substituted fluoroanilines CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed