⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5809584 | 0.90 | — | — | |
| SCHEMBL27566069 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL7025874 | 0.84 | OPRM1 (0.39) | — | |
| SCHEMBL5319891 | 0.84 | — | — | |
| SCHEMBL22462205 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL7740497 | 0.83 | — | — | |
| SCHEMBL28520301 | 0.82 | OPRM1 (0.38) | — | |
| SCHEMBL29048091 | 0.82 | OPRM1 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL29069448 | 0.81 | — | — | |
| SCHEMBL28300501 | 0.81 | TSHR (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117912587-A | Coating demand measurement method for titanium dioxide organic surface treatment agent | 龙佰集团股份有限公司 | 2024-04-19 | — | — | CN | disclosed |
| US-20210108316-A1 | PLATING METHOD, PLATING SYSTEM, AND RECORDING MEDIUM | TOKYO ELECTRON LIMITED (JP) | 2021-04-15 | — | — | US | disclosed |
| EP-2132422-A1 | FIBER MAT CONTAINING AN ORGANOSILICON COMPOUND AND POLLUTION CONTROL DEVICE USING IT | 3M Innovative Properties Company (US) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008121801-A1 | FIBER MAT CONTAINING AN ORGANOSILICON COMPOUND AND POLLUTION CONTROL DEVICE USING IT | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2008-10-09 | — | — | WO | disclosed |
| CN-100410687-C | Method for preparing superhard waterproof substances used for spectacle lens | WENZHOU LUBAO OPTICS TECHNOLOG (CN) | 2008-08-13 | — | — | CN | disclosed |