⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11536395 | 1.00 | — | — | |
| SCHEMBL10913089 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL10913085 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL5696108 | 0.65 | — | — | |
| Rolgamidine SCHEMBL10909853 | 0.64 | BACE1 (0.40) | — | |
| Rolgamidine SCHEMBL10912462 | 0.64 | BACE1 (0.40) | — | |
| SCHEMBL7083160 | 0.56 | TSHR (0.42) | — | |
| SCHEMBL19426797 | 0.52 | — | — | |
| Acetylguanidinium SCHEMBL79063 | 0.51 | — | — | |
| SCHEMBL23278004 | 0.50 | HRH3 (0.39) | — |
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-4140793-A | HYPOGLYCEMIC AGENTS, ANTIULCER AGENTS | JOHN WYETH & BROTHER, LTD. (GB) | 1979-02-20 | — | — | US | claimed |
| US-4140793-A | HYPOGLYCEMIC AGENTS, ANTIULCER AGENTS | JOHN WYETH & BROTHER, LTD. (GB) | 1979-02-20 | — | — | US | disclosed |