⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL907881 | 1.00 | — | — | |
| SCHEMBL907792 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27906334 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29202619 | 0.97 | — | — | |
| SCHEMBL6519431 | 0.92 | — | — | |
| SCHEMBL907793 | 0.92 | — | — | |
| SCHEMBL6521237 | 0.92 | — | — | |
| SCHEMBL6670552 | 0.90 | CYP2D6 (0.33) | — | |
| SCHEMBL6669388 | 0.90 | — | — | |
| SCHEMBL907578 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117969421-A | Universal sensor and method for identifying absolute configuration and optical purity of beta-chiral primary amine | 中国医学科学院药物研究所 | 2024-05-03 | — | — | CN | claimed |
| CN-117969421-A | Universal sensor and method for identifying absolute configuration and optical purity of beta-chiral primary amine | 中国医学科学院药物研究所 | 2024-05-03 | — | — | CN | disclosed |
| CN-105593232-B | Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors | 华北制药集团新药研究开发有限责任公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-105593232-A | Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors | NORTH CHINA PHARMACEUTICAL NEW DRUG R & D CO LTD | 2016-05-18 | — | — | CN | disclosed |
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | disclosed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |