⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29715936 | 0.75 | PPARD (0.50) | — | |
| SCHEMBL15395698 | 0.75 | — | — | |
| SCHEMBL28665434 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL28462221 | 0.71 | AOX1 (0.33) | — | |
| SCHEMBL21264893 | 0.71 | TRPM8 (0.40) | — | |
| SCHEMBL28470222 | 0.71 | PPARD (0.37) | — | |
| SCHEMBL28687014 | 0.71 | GABBR2 (0.43) | — | |
| SCHEMBL21461734 | 0.70 | TSHR (0.46) | — | |
| SCHEMBL18394872 | 0.70 | — | — | |
| SCHEMBL28982505 | 0.70 | GABBR2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004019932-A1 | METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS | PHARMACIA & UPJOHN COMPANY (US) | 2004-03-11 | — | — | WO | disclosed |