⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9880663 | 0.80 | — | — | |
| SCHEMBL12954614 | 0.79 | — | — | |
| SCHEMBL13760235 | 0.79 | — | — | |
| SCHEMBL12121207 | 0.79 | — | — | |
| SCHEMBL13359352 | 0.79 | — | — | |
| SCHEMBL19604530 | 0.74 | CYP2C9 (0.32) | — | |
| SCHEMBL19604578 | 0.74 | CYP2C9 (0.32) | — | |
| SCHEMBL17723321 | 0.74 | CYP2C9 (0.32) | — | |
| SCHEMBL15986023 | 0.67 | FUCA1 (0.37) | — | |
| SCHEMBL15356344 | 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 6 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-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-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 |
| US-7691803-B1 | Propanol and related compounds and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2010-04-06 | — | — | US | disclosed |