⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4606229 | 0.75 | EPHX1 (0.39) | — | |
| SCHEMBL4599188 | 0.72 | EPHX1 (0.30) | — | |
| SCHEMBL3219647 | 0.70 | DPP4 (0.33) | — | |
| SCHEMBL2916248 | 0.70 | — | — | |
| SCHEMBL5008463 | 0.69 | GABRR1 (0.38) | — | |
| SCHEMBL5781533 | 0.68 | — | — | |
| SCHEMBL10639937 | 0.66 | — | — | |
| SCHEMBL5010661 | 0.65 | GAA (0.41) | — | |
| SCHEMBL1264064 | 0.65 | — | — | |
| SCHEMBL1302634 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808303-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024582-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | disclosed |