⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20344 | 0.78 | — | — | |
| SCHEMBL9453381 | 0.73 | — | — | |
| SCHEMBL3561 | 0.73 | — | — | |
| Propyne SCHEMBL10933459 | 0.62 | — | — | |
| SCHEMBL5399479 | 0.60 | — | — | |
| SCHEMBL329192 | 0.60 | — | — | |
| Propyne SCHEMBL5574883 | 0.57 | — | — | |
| Propyne SCHEMBL7033478 | 0.57 | — | — | |
| Propyne SCHEMBL9247236 | 0.55 | — | — | |
| SCHEMBL16861434 | 0.55 | — | — |
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-109563057-A | Sulfonamide compounds or its salt | 大鹏药品工业株式会社 | 2019-04-02 | — | — | CN | disclosed |