⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3622540 | 0.79 | TRPA1 (0.30) | — | |
| SCHEMBL12921212 | 0.77 | — | — | |
| SCHEMBL10157092 | 0.77 | — | — | |
| SCHEMBL13763266 | 0.77 | — | — | |
| SCHEMBL24857108 | 0.73 | — | — | |
| SCHEMBL10157087 | 0.73 | SOS1 (0.30) | — | |
| SCHEMBL25962635 | 0.73 | SOS1 (0.30) | — | |
| SCHEMBL23551406 | 0.71 | — | — | |
| SCHEMBL12047042 | 0.71 | SOS1 (0.33) | — | |
| SCHEMBL31304756 | 0.70 | — | — |
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-4215525-A1 | PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) | 2023-07-26 | — | — | EP | disclosed |