⚠ 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 | |
|---|---|---|---|---|
| Thiophene SCHEMBL27339676 | 0.81 | CES1 (0.36) | — | |
| SCHEMBL21488366 | 0.76 | — | — | |
| SCHEMBL5860766 | 0.73 | — | — | |
| SCHEMBL183178 | 0.72 | PLOD2 (0.46) | — | |
| SCHEMBL11533523 | 0.72 | FAAH (0.57) | — | |
| SCHEMBL9283764 | 0.69 | PLOD2 (0.44) | — | |
| SCHEMBL6517983 | 0.69 | PLOD2 (0.44) | — | |
| Water SCHEMBL7191917 | 0.69 | PLOD2 (0.44) | — | |
| SCHEMBL9326020 | 0.69 | PLOD2 (0.44) | — | |
| SCHEMBL891574 | 0.69 | — | — |
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-2009001214-A2 | THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009001214-A2 | THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2008-12-31 | — | — | WO | disclosed |