⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21404142 | 0.77 | — | — | |
| SCHEMBL12868887 | 0.72 | — | — | |
| SCHEMBL5364614 | 0.70 | — | — | |
| SCHEMBL10899466 | 0.69 | — | — | |
| SCHEMBL4847157 | 0.69 | — | — | |
| SCHEMBL11276158 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL14110307 | 0.65 | — | — | |
| SCHEMBL2279228 | 0.65 | — | — | |
| SCHEMBL19102047 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL29767377 | 0.64 | AKR1B1 (0.32) | — |
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-4493801-A | Preparation of tertiary alcohols | BASF AKTIENGESELLSCHAFT (DE) | 1985-01-15 | — | — | US | claimed |
| US-4493801-A | Preparation of tertiary alcohols | BASF AKTIENGESELLSCHAFT (DE) | 1985-01-15 | — | — | US | disclosed |
| EP-0053262-A1 | Process for the preparation of tertiary alcohols | BASF Aktiengesellschaft (DE) | 1982-06-09 | — | — | EP | disclosed |