⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20122523 | 0.90 | CYP1A2 (0.37) | — | |
| SCHEMBL20122521 | 0.90 | CYP1A2 (0.32) | — | |
| SCHEMBL20122448 | 0.90 | — | — | |
| SCHEMBL20122519 | 0.89 | — | — | |
| SCHEMBL20122557 | 0.89 | — | — | |
| SCHEMBL20122397 | 0.89 | — | — | |
| SCHEMBL20122590 | 0.88 | — | — | |
| SCHEMBL20122545 | 0.88 | CYP1A2 (0.31) | — | |
| SCHEMBL20122580 | 0.84 | NPC1 (0.31) | — | |
| SCHEMBL20122578 | 0.84 | ATM (0.35) | — |
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 |