⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL745668 | 0.86 | TSHR (0.42) | — | |
| SCHEMBL18541593 | 0.82 | ALDH1A1 (0.40) | — | |
| SCHEMBL2853079 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL28629737 | 0.78 | — | — | |
| SCHEMBL27874303 | 0.76 | — | — | |
| SCHEMBL11485155 | 0.75 | LMNA (0.63) | — | |
| SCHEMBL2276292 | 0.75 | — | — | |
| SCHEMBL12442358 | 0.75 | — | — | |
| SCHEMBL4967277 | 0.75 | — | — | |
| SCHEMBL9848753 | 0.74 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2430024-A1 | [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR | AstraZeneca AB (SE) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010131022-A1 | [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR | ASTRAZENECA AB (SE) | 2010-11-18 | — | — | WO | disclosed |
| US-20100292222-A1 | CHEMICAL COMPOUNDS 751 | ASTRAZENECA AB (SE) | 2010-11-18 | — | — | US | disclosed |