⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3316049 | 0.81 | — | — | |
| SCHEMBL19507920 | 0.80 | — | — | |
| SCHEMBL24215781 | 0.77 | — | — | |
| SCHEMBL7992426 | 0.77 | — | — | |
| SCHEMBL26845852 | 0.77 | — | — | |
| SCHEMBL23870033 | 0.77 | HCAR2 (0.38) | — | |
| SCHEMBL2097257 | 0.77 | — | — | |
| SCHEMBL20992877 | 0.77 | HCAR2 (0.38) | — | |
| SCHEMBL20989240 | 0.77 | — | — | |
| SCHEMBL7700678 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017184604-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | IFM THERAPEUTICS, INC (US) | 2017-10-26 | — | — | WO | disclosed |
| US-20140221383-A1 | CETP INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-08-07 | — | — | US | disclosed |
| US-8735435-B2 | CETP inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-05-27 | — | — | US | disclosed |