⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7961134 | 0.91 | HCAR2 (0.31) | — | |
| SCHEMBL7974750 | 0.82 | SIGMAR1 (0.41) | — | |
| SCHEMBL7972650 | 0.82 | — | — | |
| SCHEMBL7961373 | 0.81 | CA2 (0.33) | — | |
| SCHEMBL7972657 | 0.79 | SIGMAR1 (0.47) | — | |
| SCHEMBL7974359 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL7972860 | 0.73 | KDM4E (0.46) | — | |
| SCHEMBL7977198 | 0.72 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7973017 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL7971371 | 0.71 | HRH3 (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6326369-B1 | ALZHEIMER'S DISEASE | TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) | 2001-12-04 | — | — | US | disclosed |