⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28657888 | 0.78 | — | — | |
| SCHEMBL12859626 | 0.74 | — | — | |
| SCHEMBL20129390 | 0.71 | — | — | |
| SCHEMBL8763997 | 0.71 | — | — | |
| SCHEMBL26533 | 0.71 | — | — | |
| SCHEMBL3985139 | 0.71 | — | — | |
| SCHEMBL2868601 | 0.71 | — | — | |
| SCHEMBL16800846 | 0.70 | — | — | |
| SCHEMBL13056046 | 0.69 | — | — | |
| SCHEMBL12747307 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117120442-A | Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders | 薛定谔公司 | 2023-11-24 | — | — | CN | disclosed |
| US-20130113860-A1 | INKJET INK, INK CARTRIDGE, INKJET RECORDING METHOD, INKJET RECORDING DEVICE, AND INKJET RECORDED MATTER | RICOH COMPANY, LTD. (JP) | 2013-05-09 | — | — | US | disclosed |