⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15200421 | 1.00 | — | — | |
| SCHEMBL28236054 | 1.00 | — | — | |
| SCHEMBL7864808 | 0.81 | — | — | |
| SCHEMBL22626879 | 0.80 | — | — | |
| SCHEMBL14144566 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7086938 | 0.79 | DNM1 (0.40) | — | |
| SCHEMBL2938374 | 0.79 | SPHK2 (0.44) | — | |
| SCHEMBL2938373 | 0.79 | SPHK2 (0.44) | — | |
| SCHEMBL19596492 | 0.79 | SPHK2 (0.44) | — | |
| SCHEMBL12890125 | 0.79 | — | — |
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 |