⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13376043 | 1.00 | — | — | |
| SCHEMBL891649 | 0.78 | — | — | |
| SCHEMBL10204394 | 0.78 | — | — | |
| SCHEMBL891650 | 0.78 | — | — | |
| SCHEMBL16318398 | 0.77 | — | — | |
| SCHEMBL27545452 | 0.75 | — | — | |
| SCHEMBL6127444 | 0.75 | — | — | |
| SCHEMBL11818474 | 0.75 | — | — | |
| SCHEMBL17300447 | 0.75 | — | — | |
| SCHEMBL12807999 | 0.73 | — | — |
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-20150110731-A1 | Inhibitor of Odor Caused by Furaneol | KAO CORPORATION (JP) | 2015-04-23 | — | — | US | disclosed |