⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9802627 | 0.97 | EPHX1 (0.38) | — | |
| SCHEMBL8976389 | 0.82 | EPHX1 (0.35) | — | |
| SCHEMBL7440315 | 0.79 | EPHX1 (0.39) | — | |
| SCHEMBL27475440 | 0.79 | EPHX1 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL28811026 | 0.79 | EPHX1 (0.34) | — | |
| SCHEMBL27985770 | 0.76 | EPHX1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL27956565 | 0.73 | EPHX1 (0.30) | — | |
| SCHEMBL13183709 | 0.72 | — | — | |
| Sulfuric Acid SCHEMBL28145779 | 0.72 | EPHX1 (0.36) | — | |
| SCHEMBL1144324 | 0.71 | — | — |
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 |