⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8130428 | 0.97 | CYP2B6 (0.39) | — | |
| SCHEMBL3593852 | 0.80 | — | — | |
| SCHEMBL4702119 | 0.78 | CYP2B6 (0.39) | — | |
| SCHEMBL21469894 | 0.73 | — | — | |
| SCHEMBL30413234 | 0.73 | CYP2B6 (0.37) | — | |
| SCHEMBL467885 | 0.73 | ADRB1 (0.31) | — | |
| SCHEMBL5815726 | 0.73 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL22756187 | 0.72 | CYP2B6 (0.39) | — | |
| SCHEMBL179261 | 0.72 | — | — | |
| SCHEMBL4915083 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023212652-A1 | HIGH PURITY LIGAND-AL-HYDRIDE COMPOSITIONS | IMPACT NANO LLC (US) | 2023-11-02 | — | — | WO | disclosed |
| EP-1263720-B1 | AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA SA (FR) | 2009-06-03 | — | — | EP | disclosed |
| EP-1263720-A1 | AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001064632-A1 | AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA S.A. (FR) | 2001-09-07 | — | — | WO | disclosed |