⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13573732 | 1.00 | — | — | |
| SCHEMBL24064873 | 0.82 | — | — | |
| SCHEMBL13478253 | 0.77 | — | — | |
| SCHEMBL18200151 | 0.77 | — | — | |
| SCHEMBL21154516 | 0.76 | EPHX2 (0.32) | — | |
| SCHEMBL21377761 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL8788700 | 0.72 | — | — | |
| SCHEMBL13639095 | 0.72 | TSHR (0.48) | — | |
| SCHEMBL10036450 | 0.71 | — | — | |
| SCHEMBL14074203 | 0.71 | APLNR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2370435-B1 | ANTIOXIDANT CAMPTOTHECIN DERIVATIVES AND ANTIOXIDANT ANTINEOPLASTIC NANOSPHERES THEREOF | CEDARS SINAI MEDICAL CENTER (US) | 2015-01-07 | — | — | EP | disclosed |
| EP-2407427-A1 | NOVEL POROUS METAL OXIDE, PROCESS FOR PRODUCING SAME, AND USE OF SAME | Mitsui Chemicals, Inc. (JP) | 2012-01-18 | — | — | EP | disclosed |