SCHEMBL2169532

SCHEMBL2169532

[C]1=CCC=C2C=CC=CN12

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
SCHEMBL6174797 0.65
SCHEMBL27831840 0.64
SCHEMBL20602276 0.61 KDM4E (0.33)
SCHEMBL4879864 0.58
SCHEMBL4399067 0.58
SCHEMBL105524 0.54
SCHEMBL6850234 0.54
SCHEMBL21500439 0.53
SCHEMBL2407922 0.52
SCHEMBL6850203 0.52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009003952-A2 COLUMN AND METHOD FOR PREPARING A BIOLOGICAL SAMPLE FOR PROTEIN PROFILING PRONOTA N.V. (BE) 2009-01-08 WO claimed
EP-1478634-A4 FURANONE DERIVATIVES GALILEO PHARMACEUTICALS INC (US) 2006-02-01 EP claimed
EP-1478634-A1 FURANONE DERIVATIVES Galileo Pharmaceuticals, Inc. (US) 2004-11-24 EP claimed
US-6667330-B2 Cytoprotective; neuroinflammation and neurodegenerative disorders; oxidative stress related conditions GALILEO PHARMACEUTICALS, INC. 2003-12-23 US claimed
US-20030176361-A1 Furanone derivatives MONSANTO TECHNOLOGY LLC 2003-09-18 US claimed
WO-2003064403-A1 FURANONE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2003-08-07 WO claimed
WO-2024019936-A1 NANOMATERIALS COMPRISING TRIOLS BEAM THERAPEUTICS INC. (US) 2024-01-25 WO disclosed
CN-115554406-A anti-CD 20 combinations for the treatment of tumors 博笛生物科技有限公司 2023-01-03 CN disclosed
CN-115350279-A anti-HER 2 combinations for the treatment of tumors 博笛生物科技有限公司 2022-11-18 CN disclosed
CN-115337402-A Combination therapeutic compositions and combination therapeutic methods for treating cancer 博笛生物科技有限公司 2022-11-15 CN disclosed
CN-115252792-A anti-EGFR combinations for the treatment of tumors 博笛生物科技有限公司 2022-11-01 CN disclosed
CN-114716555-A Compounds and compositions for targeting EGFR expressing tumors 博笛生物科技有限公司 2022-07-08 CN disclosed
CN-114671954-A Compounds and compositions targeting HER2 positive tumors 博笛生物科技有限公司 2022-06-28 CN disclosed
WO-2003028733-A1 TETRACYCLIC INDOLE DERIVATIVES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
EP-1296982-A1 1-(HETEROARYL-PHENYL)-CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2002000655-A1 1 - (HETEROARYL-PHENYL) - CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 WO disclosed
EP-0740679-A1 CROSSLINKED POLYMERIC AMMONIUM SALTS E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1996-11-06 EP disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP disclosed
WO-1995019384-A1 CROSSLINKED POLYMERIC AMMONIUM SALTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-07-20 WO disclosed