⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8846747 | 0.77 | — | — | |
| SCHEMBL6296953 | 0.77 | — | — | |
| SCHEMBL21219381 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL2014874 | 0.75 | THRB (0.38) | — | |
| SCHEMBL4947862 | 0.74 | — | — | |
| SCHEMBL119359 | 0.74 | — | — | |
| SCHEMBL431377 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL4487116 | 0.72 | — | — | |
| Butane SCHEMBL1296881 | 0.70 | — | — | |
| SCHEMBL1227350 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5789138-A | Optical recording medium and method of producing the same | RICOH COMPANY, LTD. (JP) | 1998-08-04 | — | — | US | disclosed |