⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9678599 | 0.74 | — | — | |
| SCHEMBL3933129 | 0.74 | — | — | |
| SCHEMBL16373622 | 0.67 | NAMPT (0.31) | — | |
| SCHEMBL6068456 | 0.63 | — | — | |
| SCHEMBL9944699 | 0.61 | NAMPT (0.35) | — | |
| SCHEMBL3226602 | 0.58 | — | — | |
| SCHEMBL10561694 | 0.57 | — | — | |
| SCHEMBL7547066 | 0.57 | — | — | |
| SCHEMBL5569802 | 0.57 | — | — | |
| SCHEMBL8303209 | 0.51 | — | — |
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-9150592-B2 | Heterocyclic nuclear hormone receptor modulators | ABBVIE INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-9150592-B2 | Heterocyclic nuclear hormone receptor modulators | ABBVIE INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-20140179676-A1 | HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS | ABBVIE INC. (US) | 2014-06-26 | — | — | US | disclosed |
| WO-2014094357-A1 | HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS | ABBVIE INC. (US) | 2014-06-26 | — | — | WO | disclosed |
| US-20140179676-A1 | HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS | ABBVIE INC. (US) | 2014-06-26 | — | — | US | disclosed |