⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25527949 | 0.86 | — | — | |
| SCHEMBL26833791 | 0.86 | STS (0.34) | — | |
| SCHEMBL25528078 | 0.83 | SERPINE1 (0.34) | — | |
| SCHEMBL25527928 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL25527944 | 0.81 | — | — | |
| SCHEMBL25527940 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL25527920 | 0.79 | SERPINE1 (0.33) | — | |
| SCHEMBL25737071 | 0.79 | SERPINE1 (0.30) | — | |
| SCHEMBL25527915 | 0.75 | CA12 (0.43) | — | |
| SCHEMBL25527919 | 0.74 | SERPINE1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230152696-A1 | POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-05-18 | — | — | US | disclosed |