SCHEMBL1572831

SCHEMBL1572831

CN(C)CC(CN)CN

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
Hydrochloric Acid SCHEMBL12499490 0.97 TDP1 (0.33)
SCHEMBL24385086 0.85
SCHEMBL10058200 0.83
SCHEMBL27532234 0.79 ALDH1A1 (0.50)
SCHEMBL9743519 0.78 HTR2A (0.36)
SCHEMBL16297571 0.77
SCHEMBL1024914 0.71
SCHEMBL2429787 0.71
SCHEMBL26229152 0.70 ALDH1A1 (0.37)
SCHEMBL19850262 0.69 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111154035-B Tree-shaped molecular imprinting material and preparation method and application thereof 深圳市易瑞生物技术股份有限公司 2022-03-22 CN claimed
US-9573934-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2017-02-21 US claimed
US-20150148543-A1 Methods and Compositions for the Synthesis of Multimerizing Agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-28 US claimed
US-9024028-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2015-05-05 US claimed
US-20140171649-A1 Methods and Compositions for the Synthesis of Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2014-06-19 US claimed
WO-2012103279-A2 METHODS AND COMPOSITIONS FOR THE SYNTHESIS OF MULTIMERIZING AGENTS ARIAD PHARMACEUTICALS, INCORPORATED (US) 2012-08-02 WO claimed
CN-111154035-B Tree-shaped molecular imprinting material and preparation method and application thereof 深圳市易瑞生物技术股份有限公司 2022-03-22 CN disclosed
US-9573934-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-9573934-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-9573934-B2 Methods and compositions for the synthesis of multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-9120819-B2 FGF-receptor agonist dimeric compounds SANOFI (FR) 2015-09-01 US disclosed
US-20150148543-A1 Methods and Compositions for the Synthesis of Multimerizing Agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-28 US disclosed
US-20150148543-A1 Methods and Compositions for the Synthesis of Multimerizing Agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-28 US disclosed
US-20140171649-A1 Methods and Compositions for the Synthesis of Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-20140171649-A1 Methods and Compositions for the Synthesis of Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
WO-2012103279-A3 METHODS AND COMPOSITIONS FOR THE SYNTHESIS OF MULTIMERIZING AGENTS ARIAD PHARMACEUTICALS, INCORPORATED (US) 2012-09-20 WO disclosed
WO-2012103279-A2 METHODS AND COMPOSITIONS FOR THE SYNTHESIS OF MULTIMERIZING AGENTS ARIAD PHARMACEUTICALS, INCORPORATED (US) 2012-08-02 WO disclosed
WO-2012103279-A2 METHODS AND COMPOSITIONS FOR THE SYNTHESIS OF MULTIMERIZING AGENTS ARIAD PHARMACEUTICALS, INCORPORATED (US) 2012-08-02 WO disclosed
EP-2018165-B1 FGF-PECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI AVENTIS (FR) 2011-04-13 EP disclosed
US-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2009-03-12 US disclosed