⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3083452 | 0.59 | — | — | |
| SCHEMBL28303940 | 0.54 | — | — | |
| Methyl Alcohol SCHEMBL11649435 | 0.48 | — | — | |
| Methyl Alcohol SCHEMBL71617 | 0.48 | — | — | |
| Methyl Alcohol SCHEMBL44615 | 0.48 | — | — | |
| Methyl Alcohol SCHEMBL321255 | 0.48 | TSHR (0.75) | — | |
| Methyl Alcohol SCHEMBL449756 | 0.48 | — | — | |
| Methyl Alcohol SCHEMBL449684 | 0.48 | — | — | |
| Methyl Alcohol SCHEMBL15348234 | 0.48 | — | — | |
| Methyl Alcohol SCHEMBL9526147 | 0.48 | TSHR (0.75) | — |
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-2011057892-A1 | 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | ELARA PHARMACEUTICALS GMBH (DE) | 2011-05-19 | — | — | WO | claimed |
| WO-2011057892-A1 | 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | ELARA PHARMACEUTICALS GMBH (DE) | 2011-05-19 | — | — | WO | disclosed |