⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10441332 | 0.93 | — | — | |
| SCHEMBL18568549 | 0.86 | — | — | |
| SCHEMBL8846941 | 0.86 | CES2 (0.32) | — | |
| SCHEMBL18920790 | 0.86 | CES2 (0.32) | — | |
| SCHEMBL23793708 | 0.83 | CES2 (0.31) | — | |
| SCHEMBL1004841 | 0.80 | CYP3A4 (0.32) | — | |
| SCHEMBL8846931 | 0.80 | — | — | |
| SCHEMBL13170369 | 0.79 | — | — | |
| SCHEMBL15648798 | 0.79 | — | — | |
| SCHEMBL1259357 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945416-B1 | Process for the preparation of 2,4-dichloro-3,5-dimethylfluorobenzene | BAYER AG (DE) | 2002-06-12 | — | — | EP | disclosed |
| US-6150571-A | Process for the preparation of 2,4-dichloro-3,5-dimethyl-fluorobenzene | BAYER AKTIENGESELLSCHAFT (DE) | 2000-11-21 | — | — | US | disclosed |
| EP-0945416-A1 | Process for the preparation of 2,4-dichloro-3,5-dimethylfluorobenzene | Bayer Aktiengesellschaft (DE) | 1999-09-29 | — | — | EP | disclosed |
| EP-0249867-A2 | Substituted phenyl esters of alpha-fluoroacrylic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-12-23 | — | — | EP | disclosed |