SCHEMBL539017

SCHEMBL539017

CCC([NH])(O)O

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
SCHEMBL588224 0.78
SCHEMBL628336 0.73
SCHEMBL2819245 0.72
SCHEMBL220594 0.70
SCHEMBL263435 0.70
SCHEMBL9868078 0.67
SCHEMBL5532955 0.67
SCHEMBL9587651 0.67
SCHEMBL6595865 0.67
SCHEMBL12819894 0.67 TSHR (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341378-A Urea substituted alkynyl pyrimidine or urea substituted alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2021-02-09 CN claimed
WO-2020156283-A1 ALKYNYLPYRIMIDINE OR ALKYNYLPYRIDINE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2020-08-06 WO claimed
CN-111484482-A Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2020-08-04 CN claimed
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-03-02 US claimed
JP-2011529100-A 2011-12-01 JP claimed
EP-2381931-A1 COMPOSITION INCLUDING AN ACTIVE AGENT WITH LOW WATER SOLUBILITY Flamel Technologies (FR) 2011-11-02 EP claimed
EP-2317990-A2 MICROPARTICULATE ORAL DRUG FORM USEFUL FOR THE MODIFIED RELEASE OF NANOPARTICLES Flamel Technologies (FR) 2011-05-11 EP claimed
US-20100178337-A1 Composition comprising an active agent with low aqueous solubility FLAMEL TECHNOLOGIES (FR) 2010-07-15 US claimed
WO-2010076519-A1 COMPOSITION INCLUDING AN ACTIVE AGENT WITH LOW WATER SOLUBILITY FLAMEL TECHNOLOGIES (FR) 2010-07-08 WO claimed
WO-2010012940-A2 MICROPARTICULATE ORAL DRUG FORM USEFUL FOR THE MODIFIED RELEASE OF NANOPARTICLES FLAMEL TECHNOLOGIES (FR) 2010-02-04 WO claimed
US-20100021549-A1 Microparticle oral form useful for the modified release of nanoparticles FLAMEL TECHNOLOGIES, S.A. (FR) 2010-01-28 US claimed
EP-0557820-B1 Azine neutromethine compounds BAYER AG (DE) 1998-09-16 EP claimed
EP-0557820-A2 Azine neutromethine compounds BAYER AG (DE) 1993-09-01 EP claimed
US-3932642-A BACTERICIDES, FUNGICIDES, TRICHOMONOCIDES BOEHRINGER INGELHEIM GMBH (DT) 1976-01-13 US claimed
CN-111484482-B Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-06-21 CN disclosed
US-11160783-B2 Multikinase inhibitors for use in the treatment of cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-02 US disclosed
EP-3835367-A1 ADDITIVE COMPOSITION, FLAME-RETARDANT SYNTHETIC RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE THEREOF ADEKA CORPORATION (JP) 2021-06-16 EP disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed
US-4233215-A Aziridinyl quinone antitumor agents UNITED STATES OF AMERICA (US) 1980-11-11 US disclosed
US-4146622-A AZIRIDINYL QUINONE ANTI-TRANSPLANTED TUMOR AGENTS THE GOVERNMENT OF THE UNITED STATES (US) 1979-03-27 US disclosed