⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28006603 | 0.97 | — | — | |
| SCHEMBL1342486 | 0.88 | CES2 (0.37) | — | |
| SCHEMBL15966793 | 0.87 | — | — | |
| SCHEMBL11625748 | 0.86 | DNM1 (0.41) | — | |
| SCHEMBL3556203 | 0.85 | — | — | |
| SCHEMBL8740350 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL7857259 | 0.83 | FOLH1 (0.46) | — | |
| SCHEMBL1871230 | 0.80 | — | — | |
| SCHEMBL5845644 | 0.79 | NPSR1 (0.42) | — | |
| SCHEMBL11621700 | 0.79 | ALDH1A1 (0.38) | — |
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-104370784-A | Naphthenic-base zinc sulfide compound and preparation method thereof | BEIJING RED AVENUE INNOVA CO LTD | 2015-02-25 | — | — | CN | disclosed |