⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9067373 | 0.94 | — | — | |
| SCHEMBL9067822 | 0.92 | — | — | |
| SCHEMBL19463165 | 0.79 | ALOX15 (0.31) | — | |
| SCHEMBL9068261 | 0.78 | — | — | |
| SCHEMBL779656 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL1878862 | 0.74 | HTR3A (0.42) | — | |
| SCHEMBL6831259 | 0.74 | ESR2 (0.42) | — | |
| SCHEMBL2646076 | 0.74 | CYP19A1 (0.41) | — | |
| SCHEMBL2157992 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL777693 | 0.71 | ALDH1A1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150291728-A1 | EPOXY COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE EPOXY RESIN COMPOSITION | DAICEL CORPORATION (JP) | 2015-10-15 | — | — | US | disclosed |
| EP-2921513-A1 | EPOXY COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE EPOXY RESIN COMPOSITION | Daicel Corporation (JP) | 2015-09-23 | — | — | EP | disclosed |
| US-5502207-A | ALKENYL-SUBSTITUTED BISNADIMIDE | MARUZEN PETROCHEMICAL CO., LTD. (JP) | 1996-03-26 | — | — | US | disclosed |