SCHEMBL170781

SCHEMBL170781

O=C(O)Nn1ccnc1

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
Ammonia Solution, Strong SCHEMBL28070320 0.98 ALDH1A1 (0.41)
SCHEMBL11067549 0.84 ALDH1A1 (0.39)
SCHEMBL9113432 0.82
SCHEMBL28172332 0.80
SCHEMBL27435422 0.80
SCHEMBL1906544 0.80
Hydrochloric Acid SCHEMBL28307730 0.78 CYP3A4 (0.37)
SCHEMBL27427200 0.78 HTT (0.41)
SCHEMBL28704185 0.77
SCHEMBL29156130 0.77 MAPT (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 570 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024064579-A1 IMMUNOGENIC PROTEINS FROM BORDETELLA PERTUSSIS OHIO STATE INNOVATION FOUNDATION (US) 2024-03-28 WO claimed
EP-3519582-A1 METHODS FOR DECOUPLING CELL GROWTH FROM PRODUCTION OF BIOCHEMICALS AND RECOMBINANT POLYPEPTIDES Danmarks Tekniske Universitet (DK) 2019-08-07 EP claimed
CN-107905031-B A kind of preparation method of paper grade (stock) anti-biotic material 珠海市康源纸业有限公司 2019-01-29 CN claimed
CN-107905031-A A kind of preparation method of paper grade (stock) antibacterial new material 孝感市锐思新材科技有限公司 2018-04-13 CN claimed
WO-2018020012-A1 METHODS FOR DECOUPLING CELL GROWTH FROM PRODUCTION OF BIOCHEMICALS AND RECOMBINANT POLYPEPTIDES DANMARKS TEKNISKE UNIVERSITET (DK) 2018-02-01 WO claimed
US-20090233296-A1 Thiamin production by fermentation GOESE MARKUS G 2009-09-17 US claimed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP claimed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO claimed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US claimed
US-20070185069-A1 Anti-angiogenic activity of 2-methoxyestradiol in combination with anti-cancer agents ENTREMED, INC. 2007-08-09 US claimed
WO-2007059111-A2 ANTI-ANGIOGENIC ACTIVITY OF 2-METHOXYESTRADIOL IN COMBINATION WITH ANTI-CANCER AGENTS ENTREMED, INC. (US) 2007-05-24 WO claimed
CN-1894424-A Thiamin production by fermentation DSM IP ASSETS BV (NL) 2007-01-10 CN claimed
US-20060127993-A1 Thiamin production by fermentation DSM IP ASSETS B.V. (NL) 2006-06-15 US claimed
EP-1651780-A2 THIAMIN PRODUCTION BY FERMENTATION DSM IP Assets B.V. (NL) 2006-05-03 EP claimed
WO-2004106557-A2 THIAMIN PRODUCTION BY FERMENTATION DSM IP ASSETS B.V. (NL) 2004-12-09 WO claimed
US-5478928-A Useful as antiviral agents in the treatment and prevention of AIDS SOUTHERN RESEARCH INSTITUTE (US) 1995-12-26 US claimed
CN-120118068-A Chemical process for preparing phenylpiperidinyl indole derivatives 诺华股份有限公司 2025-06-10 CN disclosed
CN-112384505-B Therapeutic heterocyclic compounds 吉利德科学公司 2025-05-27 CN disclosed
EP-0155862-B1 PROCESS FOR THE PREPARATION OF CARBAMIC ACID ESTERS DERIVATIVES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1987-07-22 EP disclosed
EP-0155862-A1 Process for the preparation of carbamic acid esters derivatives SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1985-09-25 EP disclosed