⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6588160 | 0.62 | — | — | |
| SCHEMBL16627470 | 0.62 | — | — | |
| SCHEMBL24419427 | 0.62 | — | — | |
| SCHEMBL9702582 | 0.61 | — | — | |
| SCHEMBL9702163 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL9864887 | 0.60 | — | — | |
| SCHEMBL8677951 | 0.59 | — | — | |
| SCHEMBL5888304 | 0.58 | EPHX1 (0.31) | — | |
| SCHEMBL11827376 | 0.58 | ADH1A (0.31) | — | |
| SCHEMBL9819623 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004009599-A1 | FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2004-01-29 | — | — | WO | disclosed |
| US-4861755-A | Peptides with vasorelaxant, natriuretic and diuretic effects a process for their preparation, agents containing them, and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-08-29 | — | — | US | disclosed |