⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22459495 | 0.72 | NAAA (0.32) | — | |
| SCHEMBL9883224 | 0.68 | — | — | |
| SCHEMBL18893181 | 0.62 | NAAA (0.33) | — | |
| SCHEMBL12414982 | 0.62 | NAAA (0.33) | — | |
| SCHEMBL17448264 | 0.61 | — | — | |
| SCHEMBL1397825 | 0.59 | NPSR1 (0.47) | — | |
| SCHEMBL17827198 | 0.58 | — | — | |
| SCHEMBL270387 | 0.58 | NPSR1 (0.43) | — | |
| SCHEMBL15960840 | 0.56 | TK1 (0.33) | — | |
| SCHEMBL15275717 | 0.56 | ICAM1 (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 |
|---|---|---|---|---|---|---|---|
| EP-3032332-A2 | SHRINK MATERIAL AND PATTERN FORMING PROCESS | Shin-Etsu Chemical Co., Ltd. (JP) | 2016-06-15 | — | — | EP | disclosed |