⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3422311 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL3420541 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL9352890 | 0.91 | — | — | |
| SCHEMBL3417775 | 0.91 | — | — | |
| SCHEMBL13039629 | 0.91 | ALDH1A1 (0.50) | — | |
| SCHEMBL97100 | 0.80 | — | — | |
| SCHEMBL2356027 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL7917943 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL11173871 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL10541009 | 0.78 | — | — |
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 |