⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3349858 | 0.95 | ALDH1A1 (0.41) | — | |
| SCHEMBL4607483 | 0.93 | ALDH1A1 (0.44) | — | |
| SCHEMBL20458953 | 0.87 | ADRA1A (0.36) | — | |
| SCHEMBL15473924 | 0.87 | NCF1 (0.44) | — | |
| SCHEMBL20458913 | 0.82 | CHRNB2 (0.45) | — | |
| SCHEMBL15471361 | 0.82 | ADRA1A (0.36) | — | |
| SCHEMBL5029237 | 0.80 | ADRB1 (0.47) | — | |
| SCHEMBL11459166 | 0.79 | NPC1 (0.41) | — | |
| SCHEMBL21047591 | 0.79 | PRKDC (0.40) | — | |
| SCHEMBL31373496 | 0.77 | ADRA1A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120053345-A1 | Indazole Compounds | ABBOTT LABORATORIES (US) | 2012-03-01 | — | — | US | disclosed |
| US-8008481-B2 | Indazole compounds | ABBVIE INC. | 2011-08-30 | — | — | US | disclosed |
| EP-2001480-A2 | INDAZOLE COMPOUNDS | Abbott Laboratories (US) | 2008-12-17 | — | — | EP | disclosed |
| US-20070282101-A1 | Indazole compounds | ABBVIE INC. | 2007-12-06 | — | — | US | disclosed |
| WO-2007117465-A2 | INDAZOLE COMPOUNDS | ABBOTT LABORATORIES (US) | 2007-10-18 | — | — | WO | disclosed |