⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1032769 | 0.57 | — | — | |
| SCHEMBL29600843 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL7923551 | 0.56 | — | — | |
| SCHEMBL20787073 | 0.56 | — | — | |
| SCHEMBL4585773 | 0.54 | — | — | |
| SCHEMBL469710 | 0.54 | — | — | |
| SCHEMBL319178 | 0.54 | — | — | |
| SCHEMBL630225 | 0.54 | — | — | |
| SCHEMBL3683928 | 0.53 | — | — | |
| SCHEMBL2969964 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024214103-A1 | A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR | SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) | 2024-10-17 | — | — | WO | disclosed |
| EP-0037635-B1 | THIOPYRYLIUM SENSITIZING DYES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1985-11-13 | — | — | EP | disclosed |