⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7077929 | 0.85 | CXCR2 (0.31) | — | |
| SCHEMBL8475723 | 0.83 | — | — | |
| SCHEMBL7078037 | 0.82 | — | — | |
| SCHEMBL8474127 | 0.81 | PDE4B (0.34) | — | |
| SCHEMBL8481291 | 0.78 | — | — | |
| SCHEMBL8473769 | 0.77 | HPGD (0.36) | — | |
| SCHEMBL8474564 | 0.73 | — | — | |
| SCHEMBL8716366 | 0.72 | — | — | |
| SCHEMBL8476792 | 0.70 | ELANE (0.31) | — | |
| SCHEMBL7077919 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1158290-C | Fused 1,2,4-thiadiazine and fused 1,4-thiazine derivatives, their preparation and use | ŵ��Ų�ڿ˹�˾ | 2004-07-21 | — | — | CN | disclosed |
| US-5889002-A | CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; ENDOCRINAL DISEASES | NOVO NORDISK A/S (DK) | 1999-03-30 | — | — | US | disclosed |
| CN-1208417-A | Fused 1,2,4-thiadiazine and fused 1,4-thiazine derivatives, their preparation and use | NOVO NORDISK AS (DK) | 1999-02-17 | — | — | CN | disclosed |