⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6908645 | 0.80 | L3MBTL1 (0.33) | — | |
| SCHEMBL7633561 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL4119171 | 0.77 | — | — | |
| SCHEMBL3374930 | 0.73 | — | — | |
| SCHEMBL5864321 | 0.72 | — | — | |
| SCHEMBL6911216 | 0.72 | — | — | |
| SCHEMBL5864356 | 0.69 | — | — | |
| SCHEMBL29403609 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL29402647 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL5864467 | 0.67 | — | — |
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 |