⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12611560 | 1.00 | — | — | |
| SCHEMBL12611385 | 1.00 | — | — | |
| SCHEMBL6806943 | 0.80 | — | — | |
| SCHEMBL19015346 | 0.80 | — | — | |
| SCHEMBL6803578 | 0.80 | — | — | |
| SCHEMBL6803579 | 0.80 | — | — | |
| SCHEMBL29532085 | 0.77 | CYP3A4 (0.40) | — | |
| SCHEMBL13996795 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL28172248 | 0.72 | MAPT (0.36) | — | |
| SCHEMBL17675778 | 0.71 | CA1 (0.33) | — |
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-8450533-B2 | Cyclopropanation process | GIVAUDAN SA (CH) | 2013-05-28 | — | — | US | disclosed |
| US-20110124924-A1 | Cyclopropanation Process | GIVAUDAN SA (CH) | 2011-05-26 | — | — | US | disclosed |