⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14850636 | 0.67 | — | — | |
| SCHEMBL11371412 | 0.67 | — | — | |
| SCHEMBL6441305 | 0.66 | — | — | |
| SCHEMBL16558598 | 0.64 | USP2 (0.39) | — | |
| SCHEMBL9637429 | 0.64 | — | — | |
| SCHEMBL15316770 | 0.64 | USP2 (0.39) | — | |
| SCHEMBL1782826 | 0.64 | USP2 (0.39) | — | |
| SCHEMBL11761505 | 0.62 | — | — | |
| SCHEMBL14850635 | 0.62 | — | — | |
| SCHEMBL13480444 | 0.62 | — | — |
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-7838488-B2 | Propanol and related compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2010-11-23 | — | — | US | disclosed |
| US-20100145107-A1 | NOVEL PROPANOL AND RELATED COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2010-06-10 | — | — | US | disclosed |
| US-7691803-B1 | Propanol and related compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2010-04-06 | — | — | US | disclosed |