SCHEMBL6870559

SCHEMBL6870559

F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccc(Cc2ccc([N+]#N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TASP1 Q9H6P5 1/20 0.38
▸ CYP3A4 P08684 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CALM1 P0DP23 1/20 0.32
▸ FAAH O00519 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL31619888 0.92 CALM1 (0.48) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL19416225 0.90 ALDH1A1 (0.44) ALDH1A1TP53CYP2C9HPGDALOX15
Fluoride Ion SCHEMBL1694379 0.87 ALDH1A1 (0.42) ALDH1A1TP53CYP2C9HPGDALOX15
Hydrochloric Acid SCHEMBL9445131 0.87 ALDH1A1 (0.42) ALDH1A1TP53CYP2C9HPGDALOX15
SCHEMBL5370217 0.84 — —
SCHEMBL5380526 0.84 — —
SCHEMBL23356017 0.82 LOXL2 (0.44) —
SCHEMBL5369605 0.82 CA1 (0.33) —
SCHEMBL7168345 0.82 TSHR (0.37) TSHR
SCHEMBL2232785 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703182-B1 PHOTOPOLYMERISABLE COMPOSITIONS COMPRISING SAID COMPOUNDS AND USE OF THE COMPOUNDS AS LATENT ACIDS, WHICH CAN BE ACTIVATED BY IRRADIATION WITH LIGHT CIBA SPECIALTY CHEMICALS CORPORATION 2004-03-09 — — US disclosed
EP-1105373-B1 UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SC HOLDING AG (CH) 2002-10-09 — — EP disclosed
EP-1105373-A1 UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS Ciba SC Holding AG (CH) 2001-06-13 — — EP disclosed
WO-2000010972-A1 NEW UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-02 — — WO disclosed
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