⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24885636 | 0.83 | TLR8 (0.57) | — | |
| SCHEMBL24128361 | 0.80 | KMT2A (0.37) | — | |
| SCHEMBL3443013 | 0.79 | — | — | |
| SCHEMBL9070444 | 0.79 | — | — | |
| SCHEMBL15432514 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL3070906 | 0.72 | DGAT1 (0.36) | — | |
| Cyanamide SCHEMBL15378431 | 0.72 | KMT2A (0.52) | — | |
| Thiocyanic Acid SCHEMBL25246587 | 0.72 | KMT2A (0.52) | — | |
| SCHEMBL9638042 | 0.72 | HSD17B10 (0.51) | — | |
| SCHEMBL1995889 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210087147-A1 | SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME | NodThera Limited (GB) | 2021-03-25 | — | — | US | disclosed |
| US-7351784-B2 | Chip-packaging composition of resin and cycloaliphatic amine hardener | INTEL CORPORATION (US) | 2008-04-01 | — | — | US | disclosed |
| US-20070090532-A1 | Chip-packaging compositions including catalysts and hardeners, packages made therewith, and methods of assembling same | INTEL CORPORATION | 2007-04-26 | — | — | US | disclosed |