⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5602846 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL5600841 | 0.64 | TP53 (0.33) | — | |
| SCHEMBL4515373 | 0.57 | ALDH1A1 (0.32) | — | |
| SCHEMBL57385 | 0.57 | — | — | |
| SCHEMBL29061457 | 0.57 | ALOX12 (0.46) | — | |
| SCHEMBL58153 | 0.57 | ALOX12 (0.46) | — | |
| SCHEMBL49871 | 0.57 | ALOX12 (0.46) | — | |
| SCHEMBL30702418 | 0.57 | ALOX12 (0.46) | — | |
| SCHEMBL191345 | 0.54 | ALDH1A1 (0.30) | — | |
| SCHEMBL28464076 | 0.54 | ALOX12 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10399944-B2 | Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2019-09-03 | — | — | US | disclosed |
| US-10336701-B2 | Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2019-07-02 | — | — | US | disclosed |
| US-20190047961-A1 | PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2019-02-14 | — | — | US | disclosed |
| US-20190047960-A1 | PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2019-02-14 | — | — | US | disclosed |