⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8423106 | 1.00 | — | — | |
| SCHEMBL8855949 | 1.00 | — | — | |
| SCHEMBL8421291 | 1.00 | — | — | |
| SCHEMBL687869 | 0.83 | — | — | |
| SCHEMBL8421161 | 0.83 | — | — | |
| SCHEMBL8419144 | 0.83 | — | — | |
| SCHEMBL8421160 | 0.83 | — | — | |
| SCHEMBL8419141 | 0.83 | — | — | |
| SCHEMBL21291998 | 0.83 | — | — | |
| SCHEMBL10975308 | 0.81 | — | — |
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-5696075-A | ORGANOLEPTIC | FIRMENICH SA (CH) | 1997-12-09 | — | — | US | disclosed |