⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15216065 | 0.89 | — | — | |
| SCHEMBL6856452 | 0.86 | — | — | |
| SCHEMBL24982415 | 0.81 | — | — | |
| SCHEMBL15466594 | 0.78 | — | — | |
| SCHEMBL13893235 | 0.77 | — | — | |
| SCHEMBL16521076 | 0.75 | GABRR1 (0.30) | — | |
| SCHEMBL12180847 | 0.75 | — | — | |
| SCHEMBL12180846 | 0.75 | — | — | |
| SCHEMBL14773261 | 0.74 | — | — | |
| SCHEMBL12180888 | 0.74 | — | — |
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-4470963-A | Flavoring with mono-oxomethyl substituted polyhydrodimethanonaphthalene derivatives | INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) | 1984-09-11 | — | — | US | disclosed |
| US-4446060-A | Mono-oxomethyl substituted polyhydrodimethanonaphthalene derivatives, organoleptic uses thereof and processes for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-05-01 | — | — | US | disclosed |