⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13940026 | 0.85 | — | — | |
| SCHEMBL15858205 | 0.85 | — | — | |
| SCHEMBL13920375 | 0.68 | CHRNB2 (0.31) | — | |
| SCHEMBL24236 | 0.62 | — | — | |
| SCHEMBL23025958 | 0.61 | — | — | |
| SCHEMBL13652409 | 0.61 | — | — | |
| SCHEMBL2210250 | 0.61 | MAPK1 (0.32) | — | |
| SCHEMBL23863146 | 0.61 | — | — | |
| SCHEMBL13271705 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL15561523 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0990634-B1 | ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES | DAICEL CHEM (JP) | 2013-04-10 | — | — | EP | disclosed |
| US-5455072-A | Initiation and bonding of diamond and other thin films | BENSION ROUVAIN M (US) | 1995-10-03 | — | — | US | disclosed |
| EP-0598361-A1 | Initiation and bonding of diamond and other thin films | Bension, Rouvain M. (US) | 1994-05-25 | — | — | EP | disclosed |