⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28829 | 1.00 | — | — | |
| SCHEMBL16653855 | 0.97 | — | — | |
| Ethyne SCHEMBL20506249 | 0.94 | — | — | |
| SCHEMBL31729499 | 0.88 | — | — | |
| SCHEMBL1975022 | 0.80 | USP2 (0.32) | — | |
| Butane SCHEMBL11540528 | 0.75 | LMNA (0.48) | — | |
| SCHEMBL12651664 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL17517389 | 0.74 | — | — | |
| SCHEMBL9814035 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL13186697 | 0.74 | USP2 (0.36) | — |
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-7241770-B2 | Hydronopol derivatives as agonists on human ORL1 receptors | SOLVAY PHARMACEUTICALS GMBH (DE) | 2007-07-10 | — | — | US | disclosed |
| US-20050131004-A1 | Hydronopol derivatives as agonists on human ORL1 receptors | SOLVAY PHARMACEUTICALS GMBH. | 2005-06-16 | — | — | US | disclosed |