⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7025938 | 0.96 | — | — | |
| SCHEMBL12689 | 0.96 | — | — | |
| Fluoride SCHEMBL27494802 | 0.93 | ACHE (0.93) | — | |
| SCHEMBL28221304 | 0.93 | — | — | |
| Fluoride SCHEMBL28844251 | 0.93 | — | — | |
| Iodide SCHEMBL27537208 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL29353267 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27607289 | 0.93 | ACHE (0.93) | — | |
| Methyl Alcohol SCHEMBL27638432 | 0.90 | ACHE (0.87) | — | |
| Ethylene SCHEMBL27387362 | 0.90 | ACHE (0.87) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118164989-A | Imidazo [1,2-b ] pyridazine derivatives as TRK inhibitors and application thereof | 上海医药工业研究院有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-113292510-B | Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof | 中国药科大学 | 2022-08-26 | — | — | CN | disclosed |
| CN-113292510-A | Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof | 中国药科大学 | 2021-08-24 | — | — | CN | disclosed |
| CN-108473472-B | 2-aminoquinazoline derivatives as P70S6kinase inhibitors | 圣提内尔肿瘤学有限公司 | 2021-02-12 | — | — | CN | disclosed |
| CN-108779108-A | 3- (2,3- dihydro -1H- indenes -5- bases) propanoic derivatives and their purposes as NRF2 conditioning agents | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-108369222-A | Opioid receptor modulators and uses thereof | 明尼苏达大学董事会 | 2018-08-03 | — | — | CN | disclosed |
| CN-108137557-A | Nrf2 modulators | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107847498-A | tetra-substituted olefin compound and use thereof | 卫材R&D管理有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-103354809-A | Arylurea compound, intermediate and use thereof | SHANGHAI INST PHARM INDUSTRY | 2013-10-16 | — | — | CN | disclosed |
| US-20130178469-A1 | NOVEL ANTIVIRAL AGENTS | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) | 2013-07-11 | — | — | US | disclosed |
| EP-2593460-A1 | 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS | Avexa Limited (AU) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012006680-A1 | 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS | AVEXA LIMITED (AU) | 2012-01-19 | — | — | WO | disclosed |
| EP-1853602-B1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2010-07-14 | — | — | EP | disclosed |