⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6660100 | 0.75 | — | — | |
| SCHEMBL12501831 | 0.73 | KDM4E (0.58) | — | |
| SCHEMBL580718 | 0.71 | — | — | |
| SCHEMBL6659676 | 0.70 | KDM4E (0.48) | — | |
| SCHEMBL5154515 | 0.69 | — | — | |
| SCHEMBL10338153 | 0.68 | KDM4E (0.52) | — | |
| SCHEMBL24376271 | 0.67 | KDM4E (0.55) | — | |
| SCHEMBL27920891 | 0.67 | KDM4E (0.50) | — | |
| SCHEMBL1263945 | 0.65 | — | — | |
| SCHEMBL284309 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1215835-C | Ketone derivatives and medical use thereof | TORAY INDUSTRIES (JP) | 2005-08-24 | — | — | CN | disclosed |
| US-6215016-B1 | HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA | TORAY INDUSTRIES, INC. (JP) | 2001-04-10 | — | — | US | disclosed |
| CN-1194580-A | Ketone derivatives and medical use thereof | TORAY INDUSTRIES (JP) | 1998-09-30 | — | — | CN | disclosed |
| EP-0841063-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1998-05-13 | — | — | EP | disclosed |