⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4984875 | 0.80 | — | — | |
| SCHEMBL4247406 | 0.69 | HRH3 (0.37) | — | |
| SCHEMBL2353670 | 0.67 | KEAP1 (0.38) | — | |
| SCHEMBL302906 | 0.63 | — | — | |
| SCHEMBL1064444 | 0.62 | — | — | |
| SCHEMBL126646 | 0.60 | — | — | |
| SCHEMBL4685779 | 0.59 | — | — | |
| SCHEMBL8920873 | 0.57 | — | — | |
| SCHEMBL3842395 | 0.54 | — | — | |
| SCHEMBL434948 | 0.49 | — | — |
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-5446037-A | Antiallergens; elastase inhibitors | SYNPHAR LABORATORIES, INC. (CA) | 1995-08-29 | — | — | US | claimed |