⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL7559572 | 1.00 | THRB (0.91) | — | |
| Ammonia Solution, Strong SCHEMBL1766153 | 1.00 | THRB (0.91) | — | |
| SCHEMBL1155588 | 0.95 | THRB (1.00) | — | |
| SCHEMBL358444 | 0.95 | — | — | |
| SCHEMBL29457 | 0.95 | — | — | |
| SCHEMBL354568 | 0.95 | — | — | |
| SCHEMBL73951 | 0.95 | — | — | |
| SCHEMBL1107195 | 0.95 | — | — | |
| SCHEMBL29582773 | 0.95 | — | — | |
| SCHEMBL73950 | 0.95 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5196555-A | Antitumor | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-03-23 | — | — | US | claimed |
| EP-0423707-A2 | Platinum complexes | Bristol-Myers Squibb Company (US) | 1991-04-24 | — | — | EP | claimed |
| CN-115991652-A | Method for continuously preparing 1, 2-cyclohexanediamine from epoxycyclohexane | 金浦新材料股份有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-114716912-B | High-temperature-resistant heat-dissipation coating and preparation method and application thereof | 信和新材料（苏州）有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-114716912-A | High-temperature-resistant heat-dissipation coating and preparation method and application thereof | 信和新材料（苏州）有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-108601855-B | Metal working fluid | 汉高股份有限及两合公司 | 2021-04-27 | — | — | CN | disclosed |
| CN-108601855-A | Metal working fluid | 汉高股份有限及两合公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-105073901-B | Resin combination | 纳美仕有限公司 | 2018-08-28 | — | — | CN | disclosed |