⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL86127 | 0.74 | CHRM2 (0.35) | — | |
| SCHEMBL25081773 | 0.73 | — | — | |
| SCHEMBL12563115 | 0.73 | PIK3CD (0.34) | — | |
| SCHEMBL85859 | 0.72 | CHRM2 (0.34) | — | |
| SCHEMBL86171 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL18737193 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL18737180 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL18737181 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL25081718 | 0.70 | — | — | |
| SCHEMBL26041636 | 0.69 | PIK3CD (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 2 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-20140179676-A1 | HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS | ABBVIE INC. (US) | 2014-06-26 | — | — | US | disclosed |