⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28399893 | 0.76 | — | — | |
| SCHEMBL8610652 | 0.75 | — | — | |
| SCHEMBL180124 | 0.75 | — | — | |
| SCHEMBL456135 | 0.75 | — | — | |
| SCHEMBL1969747 | 0.75 | — | — | |
| SCHEMBL15063872 | 0.75 | — | — | |
| SCHEMBL15064196 | 0.75 | — | — | |
| SCHEMBL2351350 | 0.71 | — | — | |
| SCHEMBL11562093 | 0.71 | — | — | |
| SCHEMBL8682848 | 0.68 | ALDH1A1 (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| CN-1205198-C | Cyclic ketone derivative and pharmaceutical use thereof | TORAY INDUSTRIES (JP) | 2005-06-08 | — | — | CN | disclosed |
| US-6184245-B1 | Cyclic ketone derivatives and their medical applications | TORAY INDUSTRIES INC. (JP) | 2001-02-06 | — | — | US | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |
| CN-1242770-A | Cyclic ketone derivative and pharmaceutical use thereof | TORAY INDUSTRIES (JP) | 2000-01-26 | — | — | CN | disclosed |
| EP-0962456-A1 | CYCLIC KETONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1999-12-08 | — | — | EP | disclosed |