⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2332058 | 0.80 | — | — | |
| SCHEMBL2328619 | 0.80 | CTSD (0.30) | — | |
| SCHEMBL1166573 | 0.78 | MEN1 (0.41) | — | |
| SCHEMBL2327367 | 0.77 | — | — | |
| SCHEMBL2331781 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL2327224 | 0.77 | — | — | |
| SCHEMBL2327481 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL2326998 | 0.76 | — | — | |
| SCHEMBL2324618 | 0.76 | NOS3 (0.31) | — | |
| SCHEMBL2328296 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101903378-B | Aminotriazole derivatives | ACTELION PHARMACEUTICALS LTD | 2014-03-12 | — | — | CN | disclosed |
| US-8536209-B2 | Aminotriazole derivatives as ALX agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-09-17 | — | — | US | disclosed |
| EP-2225231-B1 | AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-08-17 | — | — | EP | disclosed |
| US-20100331378-A1 | AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS | ACTELION (CH) | 2010-12-30 | — | — | US | disclosed |
| EP-2225231-A1 | AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009077990-A1 | AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-06-25 | — | — | WO | disclosed |