⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135481 | 0.79 | — | — | |
| SCHEMBL135480 | 0.79 | — | — | |
| SCHEMBL789515 | 0.79 | — | — | |
| SCHEMBL28102564 | 0.79 | TRPA1 (0.33) | — | |
| Water SCHEMBL27588993 | 0.76 | — | — | |
| SCHEMBL8401711 | 0.73 | — | — | |
| SCHEMBL7801159 | 0.73 | — | — | |
| SCHEMBL7801161 | 0.73 | — | — | |
| Carbon Dioxide SCHEMBL27808258 | 0.69 | TRPA1 (0.33) | — | |
| SCHEMBL7781048 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111302926-B | Beta-diketone cerium (IV) compound and preparation and application thereof | 湖北固润科技股份有限公司 | 2024-04-02 | — | — | CN | disclosed |
| US-20200246509-A1 | IMPLANTS HAVING A HIGH DRUG LOAD OF AN OXYSTEROL AND METHODS OF USE | WARSAW ORTHOPEDIC INC (US) | 2020-08-06 | — | — | US | disclosed |
| EP-2652552-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | Transitions Optical, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082299-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL, INC. (US) | 2012-06-21 | — | — | WO | disclosed |