⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15548176 | 0.60 | — | — | |
| SCHEMBL3871514 | 0.51 | — | — | |
| SCHEMBL2984858 | 0.50 | — | — | |
| Ammonia Solution, Strong SCHEMBL11450104 | 0.44 | — | — | |
| SCHEMBL219146 | 0.42 | — | — | |
| SCHEMBL2059657 | 0.40 | — | — | |
| SCHEMBL452580 | 0.38 | — | — | |
| SCHEMBL12110714 | 0.37 | — | — | |
| SCHEMBL73936 | 0.36 | — | — | |
| SCHEMBL43805 | 0.30 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2935284-A1 | HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS | AbbVie Inc. (US) | 2015-10-28 | — | — | EP | 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 |
| EP-0104522-B1 | NEW PYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PROCESS FOR PRODUCING THEM | GRUPPO LEPETIT S.p.A. (IT) | 1991-05-29 | — | — | EP | disclosed |