⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31387813 | 1.00 | — | — | |
| SCHEMBL23792999 | 0.74 | — | — | |
| SCHEMBL194096 | 0.71 | — | — | |
| SCHEMBL29549708 | 0.71 | — | — | |
| SCHEMBL23802267 | 0.69 | TDP1 (0.32) | — | |
| SCHEMBL23793509 | 0.69 | GLP1R (0.33) | — | |
| SCHEMBL587805 | 0.69 | TDP1 (0.35) | — | |
| SCHEMBL31146741 | 0.69 | TDP1 (0.35) | — | |
| SCHEMBL29260193 | 0.67 | KEAP1 (0.56) | — | |
| SCHEMBL29404355 | 0.67 | TDP1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183218-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY | 2023-06-15 | — | — | US | disclosed |
| EP-4139302-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | Vanderbilt University (US) | 2023-03-01 | — | — | EP | disclosed |
| WO-2021216949-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2021-10-28 | — | — | WO | disclosed |