⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2992458 | 0.94 | — | — | |
| SCHEMBL6862011 | 0.65 | — | — | |
| SCHEMBL975744 | 0.63 | — | — | |
| SCHEMBL3000562 | 0.58 | — | — | |
| SCHEMBL6640735 | 0.58 | — | — | |
| SCHEMBL7697307 | 0.56 | — | — | |
| SCHEMBL23908715 | 0.53 | — | — | |
| SCHEMBL7694325 | 0.53 | — | — | |
| SCHEMBL25653 | 0.50 | — | — | |
| SCHEMBL3788025 | 0.47 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090137774-A1 | ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-1930327-A1 | ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2008-06-11 | — | — | EP | disclosed |