SCHEMBL3813193

SCHEMBL3813193

[CH]=Cc1ccc[nH]1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2464133 0.77 MAPT (0.52)
SCHEMBL2464131 0.77 MAPT (0.52)
SCHEMBL559603 0.77 GRIN2D (0.45)
Ethyne SCHEMBL7797558 0.74
SCHEMBL6159482 0.72
SCHEMBL22163881 0.72
SCHEMBL149121 0.72
SCHEMBL10141206 0.72
SCHEMBL19596 0.72
SCHEMBL10141196 0.72

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
US-5705508-A FORMING TAXOL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-01-06 US claimed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US claimed
EP-0690856-A4 UNIV NEW YORK (US) 1996-02-07 EP claimed
EP-0690856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-01-10 EP claimed
US-5475011-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-12 US claimed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 WO claimed
CN-112538084-B Novel KRAS G12C protein inhibitor and preparation method and application thereof 信达生物制药(苏州)有限公司 2023-06-20 CN disclosed
CN-112430234-B Novel KRAS G12C protein inhibitor and preparation method and application thereof 信达生物制药(苏州)有限公司 2023-04-28 CN disclosed
CN-112292374-B Novel phosphoinositide 3-kinase inhibitor and preparation method and application thereof 信达生物制药(苏州)有限公司 2023-01-03 CN disclosed
CN-113195492-B Novel compound with three-fused ring structure, preparation method and application thereof 信达生物制药(苏州)有限公司 2022-07-08 CN disclosed
US-5475011-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-12 US disclosed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 WO disclosed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 US disclosed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN disclosed
EP-0372470-A2 Novel alpha-cyano-beta-oxopropionamides CIBA-GEIGY AG (CH) 1990-06-13 EP disclosed