⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13190050 | 0.90 | — | — | |
| SCHEMBL3422089 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL11183211 | 0.87 | — | — | |
| SCHEMBL3418621 | 0.86 | GPR84 (0.34) | — | |
| SCHEMBL3419500 | 0.84 | GPR84 (0.37) | — | |
| SCHEMBL28895319 | 0.82 | — | — | |
| SCHEMBL3417691 | 0.82 | — | — | |
| SCHEMBL3418737 | 0.77 | — | — | |
| SCHEMBL11191153 | 0.76 | — | — | |
| SCHEMBL3414686 | 0.75 | — | — |
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-20100130712-A1 | ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT | IDEMITSU KOSAN CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |