SCHEMBL541827

SCHEMBL541827

NCCn1cnnn1

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
SCHEMBL1178980 0.86
SCHEMBL21152522 0.84 ALDH1A1 (0.62)
SCHEMBL21111119 0.84 ALDH1A1 (1.00)
SCHEMBL21111146 0.79 ALDH1A1 (0.79)
SCHEMBL21111106 0.79 ALDH1A1 (0.79)
SCHEMBL29061272 0.77
SCHEMBL28611936 0.75
SCHEMBL28609350 0.75
SCHEMBL20969939 0.73 ALDH1A1 (0.68)
SCHEMBL21111121 0.73 ALDH1A1 (0.68)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897995-B2 Allophanate based dispersing agent BASF SE (DE) 2024-02-13 US claimed
US-20220275146-A1 ALLOPHANATE BASED DISPERSING AGENT BASF SE (DE) 2022-09-01 US claimed
EP-3999570-A1 ALLOPHANATE BASED DISPERSING AGENT BASF SE (DE) 2022-05-25 EP claimed
CN-114127150-A Allophanate-based dispersants 巴斯夫欧洲公司 2022-03-01 CN claimed
EP-2514853-B1 Coating-forming liquid composition and coating-forming method therewith MEC CO LTD (JP) 2016-02-10 EP claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
EP-2259665-B1 Solution for surface treatment MEC CO LTD (JP) 2012-02-08 EP claimed
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP claimed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US claimed
EP-2259665-A1 Solution for surface treatment MEC COMPANY LTD. (JP) 2010-12-08 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
US-20080242091-A1 METAL-POLISHING LIQUID AND POLISHING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 US claimed
US-20070039246-A1 Method for preparing polishing slurry LIU ZHENDONG 2007-02-22 US claimed
EP-1548075-A2 Compositons and methods for barrier removal Rohm and Haas Electronic Materials CMP Holdings, Inc. (US) 2005-06-29 EP claimed
CN-1630045-A Compositions and methods for barrier removal ROHM & HAAS ELECT MAT (US) 2005-06-22 CN claimed
US-20050097825-A1 Compositions and methods for a barrier removal ROHM AND HAAS ELECTRONIC MATERIALS CMP HOLDINGS, INC. 2005-05-12 US claimed
US-3948703-A Method of chemically polishing copper and copper alloy TOKAI DENKA KOGYO KABUSHIKI KAISHA (JA) 1976-04-06 US claimed
US-11897995-B2 Allophanate based dispersing agent BASF SE (DE) 2024-02-13 US disclosed
EP-0890660-A1 Microetching agent for copper or copper alloys MEC CO., Ltd. (JP) 1999-01-13 EP disclosed
US-3948703-A Method of chemically polishing copper and copper alloy TOKAI DENKA KOGYO KABUSHIKI KAISHA (JA) 1976-04-06 US disclosed