⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11388283 | 1.00 | — | — | |
| SCHEMBL11388286 | 0.78 | — | — | |
| SCHEMBL5321711 | 0.77 | HCAR2 (0.48) | — | |
| SCHEMBL357255 | 0.72 | — | — | |
| SCHEMBL4198201 | 0.72 | — | — | |
| SCHEMBL14306027 | 0.72 | — | — | |
| SCHEMBL10889197 | 0.72 | — | — | |
| SCHEMBL467876 | 0.72 | — | — | |
| Furan-3-Carbaldehyde SCHEMBL133204 | 0.72 | — | — | |
| SCHEMBL3094073 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104768549-A | Selective inhibitors of undifferentiated cells | YISSUM RES DEV CO | 2015-07-08 | — | — | CN | claimed |
| EP-2266958-B1 | Antiviral agent | SHIONOGI & CO (JP) | 2017-03-15 | — | — | EP | disclosed |
| CN-104768549-A | Selective inhibitors of undifferentiated cells | YISSUM RES DEV CO | 2015-07-08 | — | — | CN | disclosed |
| US-4616015-A | HYPOTENSIVE AGENT, ANTULCER AGENT, ANTICOAGULANT | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-10-07 | — | — | US | disclosed |
| EP-0122627-A2 | Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-10-24 | — | — | EP | disclosed |