⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL131562 | 0.81 | — | — | |
| SCHEMBL10031019 | 0.80 | PKM (0.51) | — | |
| SCHEMBL91500 | 0.78 | — | — | |
| SCHEMBL3853674 | 0.76 | — | — | |
| SCHEMBL16848089 | 0.76 | — | — | |
| SCHEMBL7250091 | 0.76 | — | — | |
| SCHEMBL914923 | 0.76 | — | — | |
| SCHEMBL208648 | 0.76 | — | — | |
| SCHEMBL507355 | 0.76 | — | — | |
| SCHEMBL933819 | 0.76 | — | — |
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-6562844-B2 | Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| US-6156761-A | Substituted tetralone derivatives for enhancing cognition | MERCK SHARPE & DOHME LIMITED (GB) | 2000-12-05 | — | — | US | disclosed |