⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9682505 | 1.00 | — | — | |
| SCHEMBL13593153 | 0.81 | — | — | |
| SCHEMBL9588518 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL9588592 | 0.62 | — | — | |
| Allo-Ocimene SCHEMBL58046 | 0.56 | ALDH1A1 (0.39) | — | |
| Allo-Ocimene SCHEMBL58047 | 0.56 | ALDH1A1 (0.39) | — | |
| Allo-Ocimene SCHEMBL5145283 | 0.56 | ALDH1A1 (0.39) | — | |
| SCHEMBL4286077 | 0.56 | ALDH1A1 (0.56) | — | |
| Allo-Ocimene SCHEMBL1808169 | 0.56 | ALDH1A1 (0.39) | — | |
| SCHEMBL4623531 | 0.56 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5157133-A | Vitamin A and E precursors | RHONE-POULENC NUTRITION ANIMALE (FR) | 1992-10-20 | — | — | US | disclosed |