⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5986776 | 0.71 | — | — | |
| SCHEMBL13505183 | 0.69 | — | — | |
| SCHEMBL6120400 | 0.69 | SLC22A2 (0.31) | — | |
| SCHEMBL274597 | 0.69 | CYP3A4 (0.30) | — | |
| SCHEMBL17418758 | 0.69 | — | — | |
| SCHEMBL31472177 | 0.69 | — | — | |
| SCHEMBL12682765 | 0.67 | — | — | |
| SCHEMBL22845638 | 0.65 | — | — | |
| SCHEMBL4762357 | 0.65 | — | — | |
| SCHEMBL13877831 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021216949-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2021-10-28 | — | — | WO | disclosed |
| EP-3033337-B1 | SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS | JANSSEN PHARMACEUTICA NV (BE) | 2018-02-28 | — | — | EP | disclosed |