SCHEMBL2070880

SCHEMBL2070880

[c]1ccc2c(c1)CCC=C2

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
SCHEMBL12520715 0.88 ALDH1A1 (0.34)
SCHEMBL240896 0.83
SCHEMBL17633524 0.78
SCHEMBL7389674 0.78
SCHEMBL12520912 0.72 ALDH1A1 (0.34)
SCHEMBL12520750 0.71
SCHEMBL3836572 0.71
SCHEMBL12521043 0.71
SCHEMBL15901851 0.69
SCHEMBL29385098 0.69 PARP1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957218-A Targeted protein degradation using bifunctional compounds that bind to ubiquitin ligases and target MCL-1 proteins 凯普托尔治疗学股份有限公司 2024-04-30 CN claimed
CN-117957218-A Targeted protein degradation using bifunctional compounds that bind to ubiquitin ligases and target MCL-1 proteins 凯普托尔治疗学股份有限公司 2024-04-30 CN disclosed
WO-2020195963-A1 COLORED CURABLE RESIN COMPOSITION 住友化学株式会社 2020-10-01 WO disclosed
US-9447100-B2 Substituted pyrazolo[1,5-A] pyrimidines as calcium receptor modulating agents TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2016-09-20 US disclosed
US-20140155416-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
EP-0931074-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION Takeda Chemical Industries, Ltd. (JP) 1999-07-28 EP disclosed
WO-1998009958-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO[C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-12 WO disclosed
CN-1145618-A New piperidine derivatives SCHERING AG (DE) 1997-03-19 CN disclosed
EP-0751936-A1 NEW 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS MEDICAMENTS ACTING ON THE GLUTAMATE RECEPTOR SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-08 EP disclosed
WO-1996033718-A1 AGENT FOR SEVERE ACUTE PANCREATITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed
WO-1995025721-A1 NEW 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS MEDICAMENTS ACTING ON THE GLUTAMATE RECEPTOR SCHERING AKTIENGESELLSCHAFT (DE) 1995-09-28 WO disclosed
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed