⚠ 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL8834784 | 0.58 | TSHR (0.67) | — | |
| SCHEMBL969593 | 0.58 | — | — | |
| Hexane SCHEMBL8853719 | 0.58 | TSHR (0.67) | — | |
| Pentane SCHEMBL9108978 | 0.58 | TSHR (0.58) | — | |
| Hexane SCHEMBL28709670 | 0.57 | TSHR (0.64) | — | |
| Pentane SCHEMBL2022227 | 0.57 | TSHR (0.70) | — | |
| SCHEMBL20991912 | 0.56 | TSHR (0.42) | — | |
| Heptane SCHEMBL11520180 | 0.56 | TSHR (0.61) | — | |
| Ammonia Solution, Strong SCHEMBL3821703 | 0.56 | TSHR (0.43) | — | |
| Decane SCHEMBL10984014 | 0.56 | TSHR (0.61) | — |
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-20200087270-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2020-03-19 | — | — | US | disclosed |