⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9682214 | 0.97 | TSHR (0.30) | — | |
| SCHEMBL11073790 | 0.86 | — | — | |
| Trichloroethylene SCHEMBL28180324 | 0.68 | TSHR (0.42) | — | |
| SCHEMBL3288618 | 0.67 | PTGS1 (0.33) | — | |
| SCHEMBL3291244 | 0.67 | PTGS1 (0.33) | — | |
| SCHEMBL479260 | 0.67 | PTGS1 (0.33) | — | |
| SCHEMBL5142 | 0.65 | — | — | |
| SCHEMBL5275 | 0.65 | — | — | |
| SCHEMBL21114337 | 0.65 | — | — | |
| SCHEMBL21114246 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4460793-A | REACTING 1,1-DICHLOROALKENE AND PHENOLATE TO OBTAIN PHENYLETHER INTERMEDIATE, ACID HYDROLYSIS | BAYER AKTIENGESELLSCHAFT (DE) | 1984-07-17 | — | — | US | disclosed |
| EP-0055427-B1 | PROCESS FOR THE PRODUCTION OF MONOCHLOROMETHYL KETONES | BAYER AG (DE) | 1984-05-02 | — | — | EP | disclosed |
| EP-0055427-A1 | Process for the production of monochloromethyl ketones | BAYER AG (DE) | 1982-07-07 | — | — | EP | disclosed |