⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19756175 | 0.88 | NPSR1 (0.33) | — | |
| SCHEMBL19756183 | 0.87 | — | — | |
| SCHEMBL23065534 | 0.85 | HDAC3 (0.33) | — | |
| SCHEMBL19756172 | 0.84 | KMT2A (0.35) | — | |
| SCHEMBL19756169 | 0.80 | NPSR1 (0.37) | — | |
| SCHEMBL19756179 | 0.80 | NPSR1 (0.37) | — | |
| SCHEMBL24776175 | 0.79 | GABRA1 (0.31) | — | |
| SCHEMBL19756019 | 0.78 | — | — | |
| SCHEMBL19756173 | 0.78 | FGFR1 (0.32) | — | |
| SCHEMBL19846344 | 0.75 | NPSR1 (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 |
|---|---|---|---|---|---|---|---|
| US-20170369616-A1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-12-28 | — | — | US | disclosed |