⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726262 | 0.72 | — | — | |
| SCHEMBL1155323 | 0.69 | — | — | |
| SCHEMBL14898528 | 0.68 | — | — | |
| SCHEMBL1836307 | 0.68 | — | — | |
| SCHEMBL13597017 | 0.67 | — | — | |
| SCHEMBL27920492 | 0.67 | — | — | |
| Bicarbonate SCHEMBL16105730 | 0.67 | LMNA (0.35) | — | |
| SCHEMBL25917 | 0.67 | — | — | |
| Sulfurous Acid SCHEMBL16105598 | 0.65 | CA1 (0.33) | — | |
| Phosphoric Acid SCHEMBL5964003 | 0.65 | ALOX15 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3353182-A1 | TETRAHYDROPYRANO[3,4-D][1,3]OXAZIN DERIVATIVES AND THEIR USE AS BACE INHIBITORS | Pfizer Inc (US) | 2018-08-01 | — | — | EP | disclosed |
| WO-2017051303-A1 | TETRAHYDROPYRANO[3,4-D][1,3]OXAZIN DERIVATIVES AND THEIR USE AS BACE INHIBITORS | PFIZER INC. (US) | 2017-03-30 | — | — | WO | disclosed |
| EP-1056458-A4 | METHOD FOR THE TREATMENT OF PAIN, INCLUDING CHRONIC AND FEMALE SPECIFIC PAIN | UNIV WAKE FOREST (US) | 2001-06-20 | — | — | EP | disclosed |
| EP-1056458-A1 | METHOD FOR THE TREATMENT OF PAIN, INCLUDING CHRONIC AND FEMALE SPECIFIC PAIN | Wake Forest University (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043322-A1 | METHOD FOR THE TREATMENT OF PAIN, INCLUDING CHRONIC AND FEMALE SPECIFIC PAIN | WAKE FOREST UNIVERSITY (US) | 1999-09-02 | — | — | WO | disclosed |