⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21746240 | 0.73 | — | — | |
| SCHEMBL21745785 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL23355601 | 0.69 | — | — | |
| SCHEMBL21746155 | 0.66 | CA12 (0.34) | — | |
| SCHEMBL16690917 | 0.65 | DPP4 (0.34) | — | |
| SCHEMBL21746378 | 0.64 | — | — | |
| SCHEMBL27383375 | 0.63 | DUT (0.33) | — | |
| SCHEMBL23355839 | 0.63 | DUT (0.31) | — | |
| SCHEMBL24760150 | 0.63 | NOS3 (0.33) | — | |
| SCHEMBL334569 | 0.63 | — | — |
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-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |