SCHEMBL197099

SCHEMBL197099

c1ccc(PCCCPc2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA7 P43166 1/20 0.33
KCNA3 P22001 1/20 0.32
CALM1 P0DP23 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 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
SCHEMBL1398394 0.97 CA1 (0.32) CA1CA2CA9CA12GLA
SCHEMBL7769634 0.97 CA1 (0.32) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL7165413 0.97 CA1 (0.32) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL7165412 0.97 CA1 (0.32) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL7568638 0.95 CA1 (0.30) CA1CA2CA9CA12GLA
Bromide SCHEMBL5510644 0.95 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL5107414 0.95 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL222540 0.95 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL222541 0.95 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL4117722 0.95 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 393 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462342-B Method for effectively improving purity of linalool product 万华化学集团股份有限公司 2026-05-19 CN claimed
CN-119462342-A Method for effectively improving purity of linalool product 万华化学集团股份有限公司 2025-02-18 CN claimed
CN-118652235-A Synthesis method and application of cyclohexenal compound 上海烟草集团有限责任公司 2024-09-17 CN claimed
CN-113372209-B Synthesis method of megastigmatrienone 上海烟草集团有限责任公司 2022-09-13 CN claimed
EP-1625136-B1 METHOD OF PREPARING 4-R-SUBSTITUTED 4-DEMETHOXYDAUNORUBICIN SOLUX CORP (US) 2016-02-24 EP claimed
US-8648000-B2 Diene polymerisation INEOS COMMERCIAL SERVICES UK LIMITED (GB) 2014-02-11 US claimed
US-8617707-B2 Magic size nanoclusters and methods of preparing same UNIVERSITY OF ROCHESTER (US) 2013-12-31 US claimed
US-8313978-B2 Organic semiconductor copolymers containing oligothiophene and n-type heteroaromatic units SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-11-20 US claimed
WO-2012035546-A3 A TAMPER EVIDENT MULTIPLE METALLIZED AND DEMETALLIZED SECURITY DEVICE AND PROCESS FOR PREPARING THE SAME KAPOOR AJAY (IN) 2012-05-10 WO claimed
EP-2083033-B1 Organic semiconducting copolymer and organic electronic device including the same SAMSUNG ELECTRONICS CO LTD (KR) 2012-04-18 EP claimed
EP-1229065-A1 Process for the preparation of a polyesteramide Council of Scientific and Industrial Research (IN) 2002-08-07 EP claimed
EP-1229064-A1 Process for the preparation of a polyester COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-08-07 EP claimed
US-6410681-B1 ALTERNATING POLYESTER, POLYAMIDE UNITS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-06-25 US claimed
US-6335415-B1 Process for the preparation of a polyester COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-01-01 US claimed
EP-0851864-B1 NOVEL COUPLING AGENTS, PROCESSES FOR THEIR PREPARATION AND HAIR DYES SCHWARZKOPF GMBH HANS (DE) 2001-05-23 EP claimed
US-5676706-A HYDROGEN PEROXIDE-FREE HAIR COLORS; COLORFASTNESS HANS SCHWARZKOPF GMBH & CO. KG. (DE) 1997-10-14 US claimed
EP-0709365-A1 Substituted 2,4-diaminophenols, process for their preparation and hair dyes containing them Hans Schwarzkopf GmbH (DE) 1996-05-01 EP claimed
CN-1024000-C Preparation method of 4-demethoxydaunorubinone ERBA CARLO SPA (IT) 1994-03-16 CN claimed
EP-0337665-B1 PROCESS FOR PREPARING 4-DEMETHOXYDAUNOMYCINONE FARMITALIA CARLO ERBA S.r.l. (IT) 1993-02-10 EP claimed
EP-0337665-A2 Process for preparing 4-demethoxydaunomycinone FARMITALIA CARLO ERBA S.r.l. (IT) 1989-10-18 EP claimed