SCHEMBL1780038

SCHEMBL1780038

[Pd].c1ccc([PH](CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
CALM1 P0DP23 1/20 0.33
ALDH1A1 P00352 2/20 0.32
IDO1 P14902 1/20 0.30
TP53 P04637 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
TRPA1 O75762 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
SCHEMBL837703 0.97 TSHR (0.36) TSHRCALM1ALDH1A1IDO1TP53
SCHEMBL4309885 0.94 TSHR (0.35) TSHRCALM1ALDH1A1IDO1TP53
SCHEMBL2441612 0.94 TSHR (0.35) TSHRCALM1ALDH1A1IDO1TP53
Hydrochloric Acid SCHEMBL1450025 0.91 TSHR (0.33) TSHRCALM1ALDH1A1
Hydrochloric Acid SCHEMBL1451305 0.91 TSHR (0.33) TSHRCALM1ALDH1A1
SCHEMBL3158018 0.86 TRPA1 (0.31) TSHRALDH1A1TRPA1
SCHEMBL1450028 0.86 ALDH1A1 (0.36) TSHRALDH1A1TRPA1
SCHEMBL838143 0.85 TSHR (0.39) TSHRCALM1ALDH1A1IDO1
SCHEMBL106258 0.85 TSHR (0.39) TSHRCALM1ALDH1A1IDO1
SCHEMBL11897049 0.82 TSHR (0.38) TSHRCALM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181250-A Alkenyl phosphine compound and preparation method thereof 中国石油化工股份有限公司 2022-03-15 CN claimed
CN-110167916-B Method for producing aromatic diamine compound precursor 日产化学株式会社 2022-11-11 CN disclosed
CN-114181250-A Alkenyl phosphine compound and preparation method thereof 中国石油化工股份有限公司 2022-03-15 CN disclosed
EP-1433832-B1 PHOSPHORUS-CONTAINING CARBOXYLIC ACID DERIVATIVES,PROCESS FOR PREPARATION THEREOF, AND FLAME RETARDANTS NOF CORP (JP) 2013-11-13 EP disclosed
US-8426516-B2 Polymer compound having aroylbiphenylene skeleton and thermocurable film forming polymer composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-04-23 US disclosed
US-20110118408-A1 POLYMER COMPOUND HAVING AROYLBIPHENYLENE SKELETON AND THERMOCURABLE FILM FORMING POLYMER COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-19 US disclosed
US-7186784-B2 Phosphorus-containing carboxylic acid derivatives process for preparations thereof and flame retardant NOF CORPORATION (JP) 2007-03-06 US disclosed
US-20040249028-A1 Phosphorus-containing carboxylic acid derivatives process for preparations thereof and flame retardant NOF CORPORATION (JP) 2004-12-09 US disclosed
EP-1433832-A1 PHOSPHORUS−CONTAINING CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND FLAME RETARDANTS NOF CORPORATION (JP) 2004-06-30 EP disclosed