⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8895746 | 0.75 | — | — | |
| SCHEMBL12755931 | 0.59 | — | — | |
| SCHEMBL14423108 | 0.59 | — | — | |
| SCHEMBL3149420 | 0.58 | — | — | |
| SCHEMBL10050814 | 0.57 | — | — | |
| SCHEMBL12165305 | 0.57 | — | — | |
| SCHEMBL14318139 | 0.57 | — | — | |
| SCHEMBL23285268 | 0.50 | — | — | |
| SCHEMBL18697018 | 0.50 | — | — | |
| SCHEMBL12097751 | 0.47 | — | — |
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-4055578-A | FLAVORS, ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-4020175-A | MEAT AROMA AND FLAVOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-04-26 | — | — | US | disclosed |