⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL246442 | 0.78 | — | — | |
| SCHEMBL1040227 | 0.70 | — | — | |
| SCHEMBL21932544 | 0.70 | — | — | |
| SCHEMBL28215443 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL409630 | 0.67 | — | — | |
| SCHEMBL16272075 | 0.67 | — | — | |
| SCHEMBL9475615 | 0.67 | — | — | |
| SCHEMBL9852 | 0.67 | — | — | |
| SCHEMBL10478797 | 0.67 | — | — | |
| SCHEMBL13237066 | 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 |
|---|---|---|---|---|---|---|---|
| US-5002678-A | Lubricants for heat transfer fluids | OLIN CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |