⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20122408 | 0.93 | PPARG (0.33) | — | |
| SCHEMBL20122594 | 0.93 | PPARG (0.33) | — | |
| SCHEMBL20122505 | 0.93 | — | — | |
| SCHEMBL20122503 | 0.93 | — | — | |
| SCHEMBL20122513 | 0.93 | — | — | |
| SCHEMBL20122509 | 0.93 | — | — | |
| SCHEMBL20122520 | 0.92 | — | — | |
| SCHEMBL20122590 | 0.90 | — | — | |
| SCHEMBL20122446 | 0.89 | — | — | |
| SCHEMBL20122589 | 0.88 | CYP1A2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9963428-B1 | Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-05-08 | — | — | US | disclosed |