⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL618286 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL28490492 | 0.92 | — | — | |
| Trimethylammonium SCHEMBL3975426 | 0.85 | — | — | |
| Dichloropropane SCHEMBL28930523 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL5690983 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL15348577 | 0.70 | — | — | |
| SCHEMBL891751 | 0.69 | — | — | |
| SCHEMBL27312431 | 0.69 | — | — | |
| SCHEMBL15122183 | 0.67 | — | — | |
| Dichloropropane SCHEMBL74614 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532320-A1 | Developer compositions | XEROX CORPORATION (US) | 1993-03-17 | — | — | EP | disclosed |