⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19829958 | 1.00 | — | — | |
| SCHEMBL19827827 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL19810457 | 0.98 | — | — | |
| SCHEMBL19827767 | 0.83 | — | — | |
| SCHEMBL19827772 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL19810456 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL19810470 | 0.81 | — | — | |
| SCHEMBL19828120 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL19829966 | 0.79 | AADAT (0.36) | — | |
| SCHEMBL19827810 | 0.79 | AADAT (0.36) | — |
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-20180028492-A1 | COMPOUNDS AND COMPOSITIONS AND USES THEREOF | PGI DRUG DISCOVERY LLC | 2018-02-01 | — | — | US | disclosed |