⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5898104 | 0.90 | — | — | |
| SCHEMBL27496274 | 0.87 | — | — | |
| SCHEMBL10535672 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL28338179 | 0.86 | — | — | |
| SCHEMBL8994354 | 0.85 | — | — | |
| SCHEMBL17607388 | 0.83 | — | — | |
| SCHEMBL626852 | 0.83 | — | — | |
| SCHEMBL9335673 | 0.82 | — | — | |
| SCHEMBL7177286 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL27882653 | 0.80 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102804031-A | Wettable hydrogel contact lens and method for producing same | SEED CO LTD | 2012-11-28 | — | — | CN | disclosed |
| CN-1028427-C | Rhizoxin derivatives and their use as antitumor agents | SANKYO CO (JP) | 1995-05-17 | — | — | CN | disclosed |
| CN-1040982-A | Nitragin (rhizoxin) derivative and as antineoplastic agent | SANKYO CO (JP) | 1990-04-04 | — | — | CN | disclosed |