⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15478907 | 1.00 | — | — | |
| SCHEMBL9198166 | 1.00 | — | — | |
| SCHEMBL8538464 | 0.77 | — | — | |
| SCHEMBL10416346 | 0.76 | CA1 (0.30) | — | |
| SCHEMBL434174 | 0.75 | MAOA (0.32) | — | |
| SCHEMBL23046639 | 0.73 | — | — | |
| SCHEMBL130847 | 0.72 | — | — | |
| SCHEMBL435308 | 0.72 | HRH3 (0.35) | — | |
| SCHEMBL292977 | 0.70 | — | — | |
| SCHEMBL292976 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307429-A1 | SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS | Takasago International Corporation (JP) | 2011-04-13 | — | — | EP | claimed |
| WO-2010002386-A1 | SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2010-01-07 | — | — | WO | claimed |
| US-5354911-A | From diacetals; catalyst composed of acid and amine | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-10-11 | — | — | US | disclosed |