⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12806719 | 0.81 | AR (0.33) | — | |
| SCHEMBL18149729 | 0.79 | GRIA2 (0.33) | — | |
| SCHEMBL22819012 | 0.71 | NOS3 (0.31) | — | |
| SCHEMBL12281605 | 0.70 | HSD11B1 (0.32) | — | |
| SCHEMBL6981521 | 0.69 | HSD11B1 (0.35) | — | |
| SCHEMBL2957237 | 0.67 | IDO1 (0.36) | — | |
| SCHEMBL16373264 | 0.67 | GLA (0.32) | — | |
| SCHEMBL20876147 | 0.67 | HSD11B1 (0.31) | — | |
| SCHEMBL3554534 | 0.65 | — | — | |
| SCHEMBL4226263 | 0.64 | KCNH2 (0.34) | — |
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-10160748-B2 | Indazolones as modulators of tnf signaling | ABBVIE INC. (US) | 2018-12-25 | — | — | US | disclosed |
| US-20180086737-A1 | INDAZOLONES AS MODULATORS OF TNF SIGNALING | ABBVIE INC. | 2018-03-29 | — | — | US | disclosed |
| US-20160304496-A1 | INDAZOLONES AS MODULATORS OF TNF SIGNALING | ABBVIE INC. | 2016-10-20 | — | — | US | disclosed |