⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10934624 | 1.00 | — | — | |
| SCHEMBL8073892 | 0.84 | CA1 (0.39) | — | |
| SCHEMBL927428 | 0.84 | TDP1 (0.53) | — | |
| SCHEMBL2214299 | 0.81 | TDP1 (0.50) | — | |
| SCHEMBL24098178 | 0.81 | TDP1 (0.50) | — | |
| SCHEMBL16226096 | 0.81 | CA1 (0.45) | — | |
| SCHEMBL28994334 | 0.80 | — | — | |
| SCHEMBL4585746 | 0.79 | — | — | |
| SCHEMBL8169577 | 0.79 | TDP1 (0.47) | — | |
| SCHEMBL19244088 | 0.78 | CA1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3381893-B1 | METHOD FOR PRODUCING POLYTHIOL COMPOUND, METHOD FOR PRODUCING CURABLE COMPOSITION, AND METHOD FOR PRODUCING CURED PRODUCT | HOYA LENS THAILAND LTD (TH) | 2021-08-04 | — | — | EP | disclosed |