⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10436589 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL10436748 | 0.80 | PRKD3 (0.44) | — | |
| SCHEMBL9716261 | 0.79 | MEN1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL10436752 | 0.79 | HDAC3 (0.33) | — | |
| SCHEMBL10436740 | 0.79 | — | — | |
| SCHEMBL9716257 | 0.79 | MEN1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL9716408 | 0.78 | PRKD3 (0.45) | — | |
| SCHEMBL9716309 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9716371 | 0.78 | KMT2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL9716322 | 0.77 | PRKD3 (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 |
|---|---|---|---|---|---|---|---|
| EP-0378763-A1 | Lipids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-07-25 | — | — | EP | disclosed |