⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10546035 | 0.69 | GLB1 (0.35) | — | |
| SCHEMBL2588377 | 0.65 | PTGS1 (0.37) | — | |
| SCHEMBL8036339 | 0.63 | NPC1 (0.37) | — | |
| SCHEMBL5292158 | 0.60 | PTGS1 (0.33) | — | |
| SCHEMBL4367088 | 0.60 | TSHR (0.47) | — | |
| SCHEMBL4355091 | 0.60 | TSHR (0.47) | — | |
| SCHEMBL6524652 | 0.60 | TSHR (0.47) | — | |
| SCHEMBL15142530 | 0.59 | TSHR (0.40) | — | |
| SCHEMBL15141713 | 0.59 | TSHR (0.40) | — | |
| SCHEMBL5298041 | 0.59 | PTGS1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-85103468-A | Prepare the method for new compound and new purposes thereof | — | 1986-09-10 | — | — | CN | disclosed |