⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27086567 | 0.98 | — | — | |
| SCHEMBL20072261 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL27086571 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL30002220 | 0.79 | — | — | |
| SCHEMBL25611778 | 0.74 | — | — | |
| SCHEMBL38662911 | 0.73 | GNAO1 (0.39) | — | |
| SCHEMBL31011814 | 0.72 | — | — | |
| SCHEMBL31715696 | 0.69 | — | — | |
| SCHEMBL18394739 | 0.69 | HRH3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL23358284 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10894775-B2 | Piperidine derivatives as liver X receptor beta agonists, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2021-01-19 | — | — | US | disclosed |