⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459900 | 0.95 | — | — | |
| SCHEMBL30849867 | 0.81 | — | — | |
| SCHEMBL22588478 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL29071490 | 0.76 | — | — | |
| SCHEMBL9681803 | 0.72 | GABRA1 (0.32) | — | |
| SCHEMBL22506800 | 0.72 | GABRA1 (0.32) | — | |
| SCHEMBL22535914 | 0.70 | CYP3A4 (0.32) | — | |
| SCHEMBL460694 | 0.70 | CYP3A4 (0.32) | — | |
| SCHEMBL460542 | 0.69 | — | — | |
| SCHEMBL20144 | 0.69 | CYP3A4 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116533420-A | Preparation method of near infrared barrier polyurethane lens | 浙江伟星光学股份有限公司 | 2023-08-04 | — | — | CN | disclosed |