⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8388178 | 0.83 | KMT2A (0.36) | — | |
| SCHEMBL15129750 | 0.73 | — | — | |
| SCHEMBL1305410 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL1305412 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL9445371 | 0.71 | — | — | |
| SCHEMBL4233092 | 0.71 | KMT2A (0.52) | — | |
| SCHEMBL9633370 | 0.69 | — | — | |
| SCHEMBL5052403 | 0.69 | — | — | |
| SCHEMBL28778853 | 0.69 | — | — | |
| SCHEMBL9560430 | 0.67 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1613587-A2 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2006-01-11 | — | — | EP | claimed |
| WO-2004089880-A2 | CARBAMATES USEFUL AS FRAGANCES | GIVAUDAN SA (CH) | 2004-10-21 | — | — | WO | claimed |