⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL719582 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL27534354 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL29008995 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL18187415 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL26351459 | 0.76 | — | — | |
| SCHEMBL9817385 | 0.76 | — | — | |
| SCHEMBL10972928 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL50777 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL27913833 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL1502286 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0188235-B1 | PRODUCTION OF OPTICALLY PURE ORGANOBORANES | Aldrich Chemical Company, Inc. (US) | 1991-12-11 | — | — | EP | disclosed |
| US-4713380-A | Production of optically pure organoboranes | ALDRICH-BORANES, INC. (US) | 1987-12-15 | — | — | US | disclosed |
| EP-0188235-A2 | Production of optically pure organoboranes | Aldrich Chemical Company, Inc. (US) | 1986-07-23 | — | — | EP | disclosed |