⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9726001 | 1.00 | — | — | |
| SCHEMBL10985706 | 0.70 | THRB (0.36) | — | |
| SCHEMBL605278 | 0.69 | — | — | |
| SCHEMBL7864481 | 0.69 | THRB (0.35) | — | |
| SCHEMBL20224243 | 0.69 | THRB (0.35) | — | |
| SCHEMBL27608092 | 0.66 | THRB (0.42) | — | |
| SCHEMBL27698012 | 0.66 | THRB (0.42) | — | |
| Alcohol SCHEMBL7259757 | 0.66 | THRB (0.42) | — | |
| SCHEMBL20212046 | 0.65 | THRB (0.32) | — | |
| SCHEMBL27682349 | 0.64 | THRB (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5153337-A | STEREO AND ENANTIOSELECTIVE SYNTHESIS OF TETRAHYDRO-5-SUBSTITUTED-3-METHYLENE-2-FURANMETHANOLS | AMERICAN CYANAMID COMPANY (US) | 1992-10-06 | — | — | US | claimed |
| US-5153337-A | STEREO AND ENANTIOSELECTIVE SYNTHESIS OF TETRAHYDRO-5-SUBSTITUTED-3-METHYLENE-2-FURANMETHANOLS | AMERICAN CYANAMID COMPANY (US) | 1992-10-06 | — | — | US | disclosed |