⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8660213 | 0.83 | CASP1 (0.39) | — | |
| SCHEMBL8656235 | 0.83 | CASP1 (0.44) | — | |
| SCHEMBL26106560 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL26109650 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL10706004 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL26111987 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL26109106 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL8658631 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL26111776 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL8658462 | 0.81 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20070282101-A1 | Indazole compounds | ABBVIE INC. | 2007-12-06 | — | — | US | disclosed |