⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27408293 | 0.87 | NFKB1 (0.32) | — | |
| SCHEMBL397866 | 0.84 | SLC6A3 (0.31) | — | |
| SCHEMBL27542078 | 0.77 | SLC6A3 (0.33) | — | |
| SCHEMBL9126560 | 0.76 | SLC6A3 (0.31) | — | |
| SCHEMBL27580762 | 0.76 | — | — | |
| SCHEMBL27595282 | 0.73 | — | — | |
| SCHEMBL27801035 | 0.73 | — | — | |
| SCHEMBL473655 | 0.73 | — | — | |
| SCHEMBL2019477 | 0.73 | — | — | |
| SCHEMBL7599222 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104125979-A | Cuo/zno compounds as stabilisers for flame retardant polyamides | BASF SE | 2014-10-29 | — | — | CN | disclosed |
| CN-100480070-C | Pneumatic tire | SUMITOMO RUBBER IND (JP) | 2009-04-22 | — | — | CN | disclosed |
| CN-101049794-A | Pneumatic tire | SUMITOMO RUBBER IND (JP) | 2007-10-10 | — | — | CN | disclosed |