⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125742 | 1.00 | — | — | |
| SCHEMBL125743 | 1.00 | — | — | |
| SCHEMBL9063910 | 0.81 | — | — | |
| SCHEMBL6455264 | 0.75 | CYP3A4 (0.39) | — | |
| SCHEMBL16182022 | 0.74 | — | — | |
| SCHEMBL146036 | 0.72 | — | — | |
| SCHEMBL143874 | 0.72 | — | — | |
| SCHEMBL12969457 | 0.72 | — | — | |
| SCHEMBL8593604 | 0.72 | — | — | |
| SCHEMBL24869215 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2297074-A1 | PROCESS FOR THE REARRANGEMENT OF ALLYL ALCOHOLS | DSM IP Assets B.V. (NL) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009144328-A1 | PROCESS FOR THE REARRANGEMENT OF ALLYL ALCOHOLS | DSM IP ASSETS B.V. (NL) | 2009-12-03 | — | — | WO | disclosed |
| WO-2008095724-A1 | PROCESS FOR ISOMERIZING A PENT-1-EN-3-OL | DSM IP ASSETS B.V. (NL) | 2008-08-14 | — | — | WO | disclosed |
| US-4156090-A | Polyene compounds | HOFFMANN-LA ROCHE INC. (US) | 1979-05-22 | — | — | US | disclosed |