⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27845396 | 0.67 | — | — | |
| SCHEMBL1078946 | 0.64 | ALDH1A1 (0.46) | — | |
| SCHEMBL60898 | 0.64 | — | — | |
| Water SCHEMBL27883112 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL11849942 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL29036899 | 0.60 | — | — | |
| SCHEMBL30536046 | 0.60 | — | — | |
| Bromide SCHEMBL29217212 | 0.60 | — | — | |
| SCHEMBL7016041 | 0.60 | — | — | |
| Lithium SCHEMBL10525716 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5002698-A | Anti-Wear Agents, Extreme Pressure Additives | CIBA-GEIGY CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |
| US-4863621-A | WEAR RESISTANCE, EXTREME PRESSURE LUBRICANTS | CIBA-GEIGY CORPORATION (US) | 1989-09-05 | — | — | US | disclosed |