⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8997947 | 0.76 | — | — | |
| SCHEMBL7135924 | 0.72 | — | — | |
| SCHEMBL610542 | 0.69 | L3MBTL1 (0.45) | — | |
| SCHEMBL9098689 | 0.69 | — | — | |
| SCHEMBL4672018 | 0.68 | ATM (0.35) | — | |
| SCHEMBL11578861 | 0.68 | KCNH3 (0.33) | — | |
| SCHEMBL8668819 | 0.68 | — | — | |
| SCHEMBL742856 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL9850085 | 0.67 | HDAC1 (0.41) | — | |
| SCHEMBL11420002 | 0.65 | ALDH1A1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0984920-B1 | NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE | RHODIA CHIMIE SA (FR) | 2003-07-16 | — | — | EP | disclosed |
| US-6121492-A | Method for preparing 2-trifluoro-methoxy-aniline | RHODIA CHIMIE (FR) | 2000-09-19 | — | — | US | disclosed |