⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9716296 | 0.88 | MAPK1 (0.40) | — | |
| SCHEMBL9716361 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL9716357 | 0.77 | — | — | |
| SCHEMBL10436582 | 0.76 | S1PR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9716282 | 0.72 | HTT (0.42) | — | |
| SCHEMBL9716362 | 0.69 | MEN1 (0.41) | — | |
| SCHEMBL9716287 | 0.68 | MEN1 (0.41) | — | |
| SCHEMBL9716253 | 0.67 | PLA2G2A (0.31) | — | |
| SCHEMBL9716228 | 0.66 | PLA2G2C (0.31) | — | |
| SCHEMBL9716309 | 0.66 | — | — |
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-5103007-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-07 | — | — | US | disclosed |
| EP-0378763-A1 | Lipids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-07-25 | — | — | EP | disclosed |