⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL708794 | 0.87 | ALDH1A1 (0.45) | — | |
| SCHEMBL5933112 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL9269978 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL5932967 | 0.77 | MEN1 (0.39) | — | |
| SCHEMBL5932545 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL2502610 | 0.76 | — | — | |
| SCHEMBL5932664 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL10664854 | 0.74 | — | — | |
| 2-Ethoxyethanol SCHEMBL7088934 | 0.73 | ALDH1A1 (0.88) | — | |
| SCHEMBL7074733 | 0.73 | TSHR (0.62) | — |
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-6369065-B1 | CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS | UCB S.A. (BE) | 2002-04-09 | — | — | US | claimed |
| US-6369065-B1 | CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS | UCB S.A. (BE) | 2002-04-09 | — | — | US | disclosed |