⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12687982 | 0.76 | — | — | |
| SCHEMBL24483574 | 0.76 | — | — | |
| SCHEMBL1536047 | 0.74 | — | — | |
| SCHEMBL27473498 | 0.73 | — | — | |
| SCHEMBL24445886 | 0.70 | — | — | |
| SCHEMBL27827332 | 0.70 | NOS3 (0.30) | — | |
| SCHEMBL14248633 | 0.68 | — | — | |
| SCHEMBL8059037 | 0.68 | GSK3A (0.33) | — | |
| SCHEMBL8291815 | 0.67 | ALDH1A1 (0.48) | — | |
| SCHEMBL311626 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4970345-A | REARRANGEMENT, HYDROGENATION, DEHYDRATION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-11-13 | — | — | US | disclosed |