⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6057437 | 0.67 | — | — | |
| SCHEMBL7613376 | 0.65 | — | — | |
| SCHEMBL27871102 | 0.64 | — | — | |
| SCHEMBL6057461 | 0.62 | — | — | |
| SCHEMBL6057539 | 0.61 | NOS3 (0.31) | — | |
| SCHEMBL22111095 | 0.61 | — | — | |
| SCHEMBL14480341 | 0.61 | — | — | |
| SCHEMBL24826810 | 0.61 | — | — | |
| SCHEMBL14731299 | 0.61 | — | — | |
| SCHEMBL1400966 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4178311-A | Process for the production of compounds useful in perfumery | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-12-11 | — | — | US | disclosed |
| EP-0004914-A1 | Process for the production of compounds useful in perfumery | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-10-31 | — | — | EP | disclosed |
| US-4162256-A | Process for the production of compounds useful in perfumery | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-07-24 | — | — | US | disclosed |