⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19411900 | 0.90 | EPHX1 (0.43) | — | |
| SCHEMBL6030789 | 0.87 | EPHX1 (0.47) | — | |
| SCHEMBL425737 | 0.77 | — | — | |
| Hydrazine SCHEMBL4041034 | 0.76 | SERPINE1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11162708 | 0.74 | — | — | |
| SCHEMBL4674791 | 0.74 | — | — | |
| Water SCHEMBL8681204 | 0.74 | — | — | |
| SCHEMBL28439266 | 0.74 | — | — | |
| SCHEMBL29049536 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL29105668 | 0.74 | ATM (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006016237-A2 | HETEROCYCLIC DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-02-16 | — | — | WO | claimed |
| CN-114988999-A | 1-formamido-1-cyclopropane carboxylic acid compound and synthesis method and application of derivative thereof | 郑州尼采生物科技有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-108473484-A | Compounds useful as TRPM8 modulators | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |