⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3417793 | 0.91 | — | — | |
| SCHEMBL3422090 | 0.91 | — | — | |
| SCHEMBL3420621 | 0.89 | TSHR (0.30) | — | |
| SCHEMBL3416602 | 0.88 | — | — | |
| SCHEMBL3419954 | 0.86 | — | — | |
| SCHEMBL3418988 | 0.85 | — | — | |
| SCHEMBL3417086 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL3417802 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL3422034 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL3419046 | 0.84 | TSHR (0.32) | — |
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 |