⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25563628 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL11342485 | 0.78 | CA12 (0.37) | — | |
| SCHEMBL2465652 | 0.77 | — | — | |
| SCHEMBL5474525 | 0.74 | — | — | |
| SCHEMBL8893409 | 0.74 | — | — | |
| SCHEMBL13678663 | 0.74 | LMNA (0.35) | — | |
| SCHEMBL11291649 | 0.74 | — | — | |
| SCHEMBL1903711 | 0.74 | TDP1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3866987 | 0.72 | TDP1 (0.31) | — | |
| SCHEMBL3633163 | 0.72 | TAS2R38 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170196848-A1 | Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives | ALKERMES PHARMA IRELAND LTD (IE) | 2017-07-13 | — | — | US | disclosed |
| US-20090270350-A1 | Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives | PFIZER INC. | 2009-10-29 | — | — | US | disclosed |
| US-20090270350-A1 | Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives | PFIZER INC. | 2009-10-29 | — | — | US | disclosed |
| WO-2007091176-A1 | PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2007-08-16 | — | — | WO | disclosed |
| EP-1283039-A1 | -SECRETASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2003-02-12 | — | — | EP | disclosed |