⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14641093 | 0.78 | — | — | |
| SCHEMBL3674179 | 0.76 | — | — | |
| SCHEMBL10184035 | 0.76 | — | — | |
| SCHEMBL17935660 | 0.76 | — | — | |
| SCHEMBL14559632 | 0.73 | — | — | |
| SCHEMBL14457853 | 0.71 | — | — | |
| SCHEMBL16512797 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL21164418 | 0.69 | — | — | |
| SCHEMBL25635428 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL13714258 | 0.67 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007085631-A1 | DERIVATIVES OF BICYCLO[4.3.0]NONA-3,7-DIENE AND USE THEREOF | SYMRISE GMBH & CO. KG (DE) | 2007-08-02 | — | — | WO | disclosed |