⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1752092 | 0.73 | — | — | |
| SCHEMBL356231 | 0.73 | — | — | |
| SCHEMBL7045074 | 0.70 | — | — | |
| SCHEMBL358647 | 0.70 | — | — | |
| SCHEMBL916741 | 0.69 | — | — | |
| SCHEMBL5848314 | 0.69 | — | — | |
| SCHEMBL5263447 | 0.69 | — | — | |
| SCHEMBL6428756 | 0.68 | — | — | |
| SCHEMBL6526614 | 0.67 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5212534 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188083-B2 | Triazolopyridazines | ABBOTT LABORATORIES (US) | 2012-05-29 | — | — | US | disclosed |
| EP-2170337-A1 | NOVEL TRIAZOLOPYRIDAZINES | Abbott Laboratories (US) | 2010-04-07 | — | — | EP | disclosed |
| US-20090270402-A1 | Novel triazolopyridazines | ABBVIE INC. | 2009-10-29 | — | — | US | disclosed |
| WO-2009005675-A1 | NOVEL TRIAZOLOPYRIDAZINES | ABBOTT LABORATORIES (US) | 2009-01-08 | — | — | WO | disclosed |
| EP-0016277-B1 | 2-CARBONYL-3-HYDROXY-ALKENONITRILES, THEIR USE AS ANTI-ARTHRITIC AGENTS AND PROCESSES FOR THEIR PREPARATION | AMERICAN CYANAMID COMPANY (US) | 1981-12-02 | — | — | EP | disclosed |
| EP-0016277-A1 | 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation | AMERICAN CYANAMID COMPANY (US) | 1980-10-01 | — | — | EP | disclosed |
| WO-1980000964-A1 | ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES | AMERICAN CYANAMID CO (US) | 1980-05-15 | — | — | WO | disclosed |
| US-4197310-A | ANTIARTHRITIC, ANTIINFLAMMATORY, PREVENT JOINT DETERIORATION | AMERICAN CYANAMID COMPANY (US) | 1980-04-08 | — | — | US | disclosed |
| US-4173650-A | ANTIARTHRITIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1979-11-06 | — | — | US | disclosed |