⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8597422 | 0.87 | ALDH1A1 (0.46) | — | |
| SCHEMBL7115084 | 0.78 | SLC22A6 (0.62) | — | |
| SCHEMBL9846582 | 0.78 | — | — | |
| SCHEMBL5538293 | 0.78 | — | — | |
| SCHEMBL28846448 | 0.78 | SLC22A6 (0.62) | — | |
| SCHEMBL5924231 | 0.77 | — | — | |
| SCHEMBL29597579 | 0.77 | — | — | |
| SCHEMBL8364556 | 0.77 | — | — | |
| SCHEMBL10072624 | 0.76 | THRB (0.40) | — | |
| SCHEMBL11035573 | 0.76 | CA1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111295398-A | Chemical polymerization initiator, adhesive composition kit, dental material kit, and method for storing adhesive composition | 德山齿科株式会社 | 2020-06-16 | — | — | CN | disclosed |
| EP-0146505-A2 | Image formation process | CIBA-GEIGY AG (CH) | 1985-06-26 | — | — | EP | disclosed |