⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL705915 | 0.88 | — | — | |
| SCHEMBL705774 | 0.84 | — | — | |
| SCHEMBL703462 | 0.80 | — | — | |
| SCHEMBL705815 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL703799 | 0.71 | — | — | |
| SCHEMBL705836 | 0.70 | — | — | |
| SCHEMBL706344 | 0.68 | — | — | |
| SCHEMBL28367825 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL706033 | 0.68 | — | — | |
| SCHEMBL28373331 | 0.68 | TSHR (0.35) | — |
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-4359342-A | Silica reinforced rubber | PHILLIPS PETROLEUM COMPANY (US) | 1982-11-16 | — | — | US | disclosed |