⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13720845 | 0.75 | — | — | |
| SCHEMBL7136831 | 0.49 | — | — | |
| SCHEMBL22592092 | 0.42 | — | — | |
| SCHEMBL18322223 | 0.39 | — | — | |
| SCHEMBL18322218 | 0.39 | — | — | |
| Water SCHEMBL29029963 | 0.38 | — | — | |
| SCHEMBL4621802 | 0.36 | — | — | |
| SCHEMBL29062323 | 0.36 | CA1 (0.50) | — | |
| SCHEMBL27908419 | 0.36 | — | — | |
| Thiocyanic Acid SCHEMBL21177322 | 0.33 | TSHR (0.31) | — |
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-1163233-A1 | FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2001-12-19 | — | — | EP | disclosed |
| US-6232310-B1 | ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DK) | 2001-05-15 | — | — | US | disclosed |
| US-6232310-B1 | ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DK) | 2001-05-15 | — | — | US | disclosed |
| US-6232310-B1 | ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DK) | 2001-05-15 | — | — | US | disclosed |
| WO-2000055147-A1 | FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2000-09-21 | — | — | WO | disclosed |