⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11257300 | 0.97 | — | — | |
| SCHEMBL22215 | 0.97 | — | — | |
| SCHEMBL18179884 | 0.97 | — | — | |
| SCHEMBL10887194 | 0.97 | — | — | |
| SCHEMBL10905145 | 0.97 | ALDH1A1 (0.41) | — | |
| Water SCHEMBL6837067 | 0.97 | — | — | |
| SCHEMBL15650039 | 0.94 | — | — | |
| SCHEMBL11137224 | 0.94 | — | — | |
| Acrylonitrile SCHEMBL10718375 | 0.89 | ALDH1A1 (0.47) | — | |
| SCHEMBL714811 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5871846-A | FOR USE IN NATURAL OR SYNTHETIC RUBBER SYSTEMS AS A REINFORCING FILLER OR EXTENDER. | J.M. HUBER CORPORATION (US) | 1999-02-16 | — | — | US | disclosed |