⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL175234 | 0.85 | TDP1 (0.46) | — | |
| SCHEMBL6285701 | 0.84 | — | — | |
| SCHEMBL6284235 | 0.84 | KDM4E (0.44) | — | |
| SCHEMBL6284516 | 0.82 | KDM4E (0.48) | — | |
| Urea SCHEMBL28214731 | 0.82 | KDM4E (0.37) | — | |
| Carbamic Acid SCHEMBL144323 | 0.79 | ACHE (0.47) | — | |
| SCHEMBL19171562 | 0.79 | KEAP1 (0.41) | — | |
| SCHEMBL6285649 | 0.79 | CA2 (0.44) | — | |
| SCHEMBL7963530 | 0.78 | KDM4E (0.55) | — | |
| SCHEMBL6290115 | 0.77 | MEN1 (0.47) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108929705-B | Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, liquid crystal element, polymer, and diamine | JSR株式会社 | 2023-05-30 | — | — | CN | disclosed |
| EP-3828185-A2 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS | Dana Farber Cancer Institute, Inc. (US) | 2021-06-02 | — | — | EP | disclosed |
| WO-2020243142-A1 | FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS | Janssen Sciences Ireland Unlimited Company (IE) | 2020-12-03 | — | — | WO | disclosed |
| WO-2020112846-A1 | SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2020-06-04 | — | — | WO | disclosed |
| US-8524727-B2 | Pyrimidine compound | ASTELLAS PHARMA INC. (JP) | 2013-09-03 | — | — | US | disclosed |
| EP-2415765-A1 | PYRIMIDINE COMPOUND | Astellas Pharma Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20110201608-A1 | SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-18 | — | — | US | disclosed |
| US-20110053912-A1 | PYRIMIDINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2011-03-03 | — | — | US | disclosed |
| WO-2010113834-A1 | PYRIMIDINE COMPOUND | アステラス製薬株式会社 (JP) | 2010-10-07 | — | — | WO | disclosed |
| US-6916854-B2 | Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-12 | — | — | US | disclosed |
| US-20040097642-A1 | Unsaturated compounds containing carbamate terminal groups or urea terminal groups | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |