⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5942499 | 0.68 | — | — | |
| SCHEMBL31211733 | 0.66 | — | — | |
| SCHEMBL9859355 | 0.64 | — | — | |
| SCHEMBL9707456 | 0.62 | — | — | |
| SCHEMBL5550677 | 0.61 | — | — | |
| SCHEMBL3908898 | 0.61 | — | — | |
| SCHEMBL28254349 | 0.60 | — | — | |
| SCHEMBL28209895 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL27587131 | 0.58 | — | — | |
| SCHEMBL8542291 | 0.58 | P2RY6 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0667337-B1 | Method for preparing fluoroanilines | CLARIANT GMBH (DE) | 1998-01-21 | — | — | EP | disclosed |
| US-5498794-A | Process for preparing fluoroanilines | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-03-12 | — | — | US | disclosed |
| EP-0667337-A1 | Method for preparing fluoroanilines | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-08-16 | — | — | EP | disclosed |