⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20329799 | 0.88 | — | — | |
| SCHEMBL31215807 | 0.87 | PIK3CD (0.34) | — | |
| SCHEMBL8146528 | 0.85 | OPRL1 (0.31) | — | |
| SCHEMBL22200813 | 0.85 | OPRL1 (0.31) | — | |
| SCHEMBL24429568 | 0.79 | — | — | |
| SCHEMBL24429565 | 0.79 | — | — | |
| SCHEMBL8463659 | 0.76 | ADH1A (0.39) | — | |
| SCHEMBL20095976 | 0.76 | ADH1A (0.39) | — | |
| SCHEMBL24429449 | 0.74 | — | — | |
| SCHEMBL17285997 | 0.71 | HTR2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230047209-A1 | PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE | PARAZA PHARMA, INC. (CA) | 2023-02-16 | — | — | US | disclosed |
| WO-2020142612-A1 | PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. | GENENTECH, INC. (US) | 2020-07-09 | — | — | WO | disclosed |