⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22599650 | 0.94 | — | — | |
| SCHEMBL19846319 | 0.84 | NPC1 (0.32) | — | |
| SCHEMBL24408976 | 0.84 | GAA (0.30) | — | |
| SCHEMBL25476479 | 0.83 | — | — | |
| SCHEMBL19756202 | 0.81 | — | — | |
| SCHEMBL11953049 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL24861811 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL20799735 | 0.80 | — | — | |
| SCHEMBL20008851 | 0.78 | NPSR1 (0.36) | — | |
| SCHEMBL19846362 | 0.78 | CYP17A1 (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-20180039173-A1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-02-08 | — | — | US | disclosed |