⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13798803 | 1.00 | — | — | |
| SCHEMBL23866057 | 1.00 | — | — | |
| SCHEMBL18967293 | 1.00 | — | — | |
| SCHEMBL25784034 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30994948 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL25366246 | 0.98 | — | — | |
| SCHEMBL21787689 | 0.81 | — | — | |
| SCHEMBL16384327 | 0.81 | — | — | |
| SCHEMBL16384333 | 0.81 | — | — | |
| SCHEMBL14427980 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017147102-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |