⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31321402 | 0.80 | — | — | |
| SCHEMBL9402060 | 0.78 | — | — | |
| SCHEMBL11538329 | 0.76 | EPHX1 (0.39) | — | |
| SCHEMBL20594201 | 0.76 | — | — | |
| SCHEMBL7004897 | 0.76 | — | — | |
| SCHEMBL15593881 | 0.72 | — | — | |
| Thiodiglycol SCHEMBL10339653 | 0.72 | TDP1 (0.50) | — | |
| SCHEMBL593227 | 0.72 | — | — | |
| SCHEMBL7001679 | 0.72 | — | — | |
| SCHEMBL437060 | 0.71 | — | — |
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-113372250-B | Polythiol compound, process for producing the same, transparent urethane resin produced from the same, and optical body | KS试验研究株式会社 | 2023-12-08 | — | — | CN | disclosed |