SCHEMBL28600368

SCHEMBL28600368

CCCCN(C(=O)c1ccc(Cl)cc1)c1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(N(CCCC)C(=O)c3ccc(Cl)cc3)c2F)c1F.[Ti]

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.39
ALDH1A1 P00352 2/20 0.31
ADRB2 P07550 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
BDKRB2 P30411 1/20 0.30

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
SCHEMBL482957 0.99 S1PR1 (0.39) S1PR1ALDH1A1ADRB2MAPTTSHR
SCHEMBL482967 0.96 S1PR1 (0.40) S1PR1ALDH1A1BDKRB2
SCHEMBL599113 0.91 S1PR1 (0.35) S1PR1ALDH1A1ADRB2MAPTBDKRB2
SCHEMBL482918 0.90 MLYCD (0.37) S1PR1ALDH1A1ADRB2MAPTBDKRB2
SCHEMBL599447 0.89 S1PR1 (0.33) S1PR1ALDH1A1BDKRB2
SCHEMBL482952 0.88 NPC1 (0.35) S1PR1ALDH1A1ADRB2MAPT
SCHEMBL270458 0.86 S1PR1 (0.33) S1PR1
SCHEMBL6662428 0.85 PDK1 (0.33) S1PR1MAPT
SCHEMBL483228 0.83 TP53 (0.36) S1PR1ALDH1A1
SCHEMBL268503 0.82

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
CN-114402256-A Organic film, method for producing same, composition, laminate, and semiconductor device 富士胶片株式会社 2022-04-26 CN disclosed
CN-113383273-A Photosensitive resin composition, pattern forming method, cured film, laminate, and device 富士胶片株式会社 2021-09-10 CN disclosed
CN-113168093-A Pattern forming method, photosensitive resin composition, cured film, laminate, and device 富士胶片株式会社 2021-07-23 CN disclosed