⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15113793 | 1.00 | — | — | |
| SCHEMBL18898092 | 0.90 | — | — | |
| SCHEMBL15113796 | 0.89 | — | — | |
| SCHEMBL10312416 | 0.86 | — | — | |
| SCHEMBL10312414 | 0.82 | — | — | |
| SCHEMBL20691858 | 0.81 | — | — | |
| SCHEMBL17339982 | 0.81 | — | — | |
| SCHEMBL10064387 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL26538475 | 0.81 | — | — | |
| SCHEMBL10178905 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9989847-B2 | Onium salt compound, resist composition, and pattern forming process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-06-05 | — | — | US | disclosed |