⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22275604 | 0.79 | — | — | |
| SCHEMBL2056982 | 0.79 | — | — | |
| SCHEMBL8024973 | 0.79 | — | — | |
| SCHEMBL26352663 | 0.74 | — | — | |
| SCHEMBL10402005 | 0.74 | — | — | |
| SCHEMBL10401956 | 0.74 | MAP2K7 (0.31) | — | |
| SCHEMBL7372332 | 0.74 | CA2 (0.41) | — | |
| SCHEMBL11277667 | 0.73 | — | — | |
| SCHEMBL8007391 | 0.73 | — | — | |
| SCHEMBL21183390 | 0.71 | BHMT (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5021439-A | Senile dementia and memory dysfunction | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-04 | — | — | US | claimed |
| US-5021439-A | Senile dementia and memory dysfunction | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-04 | — | — | US | disclosed |
| EP-0367393-A2 | New heterocyclic compounds, production and use thereof | Takeda Chemical Industries, Ltd. (JP) | 1990-05-09 | — | — | EP | disclosed |