⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4774211 | 0.74 | — | — | |
| SCHEMBL20136561 | 0.70 | KDM1A (0.51) | — | |
| SCHEMBL7739147 | 0.70 | EED (0.35) | — | |
| SCHEMBL10576162 | 0.68 | EED (0.37) | — | |
| SCHEMBL22275905 | 0.66 | NR3C1 (0.38) | — | |
| SCHEMBL20851457 | 0.66 | NR3C1 (0.38) | — | |
| SCHEMBL24471011 | 0.61 | GRIN1 (0.36) | — | |
| SCHEMBL13017843 | 0.60 | SIRT2 (0.34) | — | |
| SCHEMBL487018 | 0.59 | — | — | |
| SCHEMBL1930892 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6114364-A | 2-((SUBSTITUTED)ALKYL(THIO, SULFONYL, OR SULFOXY)METHYL), 3-(CARBOXYL OR ALIPHATIC HYDROCARBONYL)CYCLOPENTAN-1-ONE DERIVATIVES, EXCEPT CYSTACYCLIN; USE AS NEURON DIFFERENTIATION ACCELERATOR | NIPPON KAYAKU CO., LTD. (JP) | 2000-09-05 | — | — | US | disclosed |
| EP-0976709-A1 | 2,3-DISUBSTITUTED CYCLOPENTANONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF | NIPPON KAYAKU CO., LTD. (JP) | 2000-02-02 | — | — | EP | disclosed |