SCHEMBL1398394

SCHEMBL1398394

[Ni].c1ccc(PCCCPc2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
GLA P06280 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA7 P43166 1/20 0.32
KCNA3 P22001 1/20 0.31
CALM1 P0DP23 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
SCHEMBL7769634 1.00 CA1 (0.32) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL7568638 0.97 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL222540 0.97 CA1 (0.30) CA1CA2CA9CA12GLA
SCHEMBL197099 0.97 CA1 (0.33) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL7165413 0.94 CA1 (0.32) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL7165412 0.94 CA1 (0.32) CA1CA2CA9CA12GLA
Bromide SCHEMBL5510644 0.92 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL5107414 0.92 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL222541 0.92 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL4117722 0.92 CA1 (0.30) CA1CA2CA9CA12GLA

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
EP-2083033-B1 Organic semiconducting copolymer and organic electronic device including the same SAMSUNG ELECTRONICS CO LTD (KR) 2012-04-18 EP claimed
EP-1654298-B1 PROCESS OF PREPARING REGIOREGULAR POLYMERS MERCK PATENT GMBH (DE) 2008-10-01 EP claimed
EP-1028136-B1 A method of forming poly-(3-substituted) thiophenes UNIV CARNEGIE MELLON (US) 2006-05-24 EP claimed
US-20110209762-A1 Composition containing thiazole rings, organic semiconductor polymer containing the composition, organic active layer containing the organic semiconductor polymer, organic thin film transistor containing the organic active layer, electronic device containing the organic thin film transistor and method of preparing the same LEE BANG LIN 2011-09-01 US disclosed
US-8008426-B2 heteroaromatic fused polythiophenes copolymers; N-type semiconductor properties; solvent solubility, processability, and increase charge mobility and decreased off-state leakage current SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-08-30 US disclosed
EP-1953155-B1 Composition containing thiazole rings, organic semiconductor polymer containing the composition, organic active layer containing the organic semiconductor polymer, organic thin film transistor containing the organic active layer, electronic device containing the organic thin film transistor and method of preparing the same SAMSUNG ELECTRONICS CO LTD (KR) 2011-03-02 EP disclosed
CN-101627022-A Heterocyclic compound and heterocyclic polymer SUMITOMO CHEMICAL CO 2010-01-13 CN disclosed
US-20080283828-A1 Organic semiconductor polymer having liquid crystal properties, organic active layer, organic thin film transistor, and electronic device including the same, and methods of fabricating the same SAMSUNG ELECTRONICS CO., LTD. 2008-11-20 US disclosed
CN-1040366-A Butenoic acid or acrylic acid derivative EISAI CO LTD (JP) 1990-03-14 CN disclosed