⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19678504 | 0.75 | — | — | |
| SCHEMBL19678509 | 0.69 | POLB (0.32) | — | |
| SCHEMBL22403233 | 0.66 | SCN9A (0.31) | — | |
| SCHEMBL11959531 | 0.64 | — | — | |
| SCHEMBL19985768 | 0.62 | GPR17 (0.33) | — | |
| SCHEMBL19684029 | 0.61 | KMT2A (0.34) | — | |
| SCHEMBL24632265 | 0.61 | KMT2A (0.49) | — | |
| SCHEMBL22656590 | 0.60 | GABRR1 (0.50) | — | |
| SCHEMBL109579 | 0.60 | GABRR1 (0.50) | — | |
| SCHEMBL27224128 | 0.60 | GABRR1 (0.50) | — |
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-20180081267-A1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-22 | — | — | US | disclosed |