⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7736984 | 0.78 | — | — | |
| SCHEMBL7294172 | 0.73 | ALDH1A1 (0.39) | — | |
| Urea SCHEMBL28723467 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL2770380 | 0.71 | — | — | |
| SCHEMBL11329039 | 0.71 | MAPT (0.44) | — | |
| SCHEMBL8464996 | 0.71 | — | — | |
| SCHEMBL10864191 | 0.70 | CA14 (0.40) | — | |
| Acetamide SCHEMBL28257765 | 0.69 | LMNA (0.57) | — | |
| Methyl Carbamate SCHEMBL15688465 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL27322751 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0822931-A1 | PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION | Takeda Chemical Industries, Ltd. (JP) | 1998-02-11 | — | — | EP | disclosed |