⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28875766 | 0.74 | — | — | |
| SCHEMBL27093103 | 0.72 | — | — | |
| SCHEMBL18648860 | 0.72 | — | — | |
| SCHEMBL10763435 | 0.72 | — | — | |
| SCHEMBL28760215 | 0.70 | POLB (0.35) | — | |
| SCHEMBL326917 | 0.70 | GRIK1 (0.33) | — | |
| SCHEMBL26422546 | 0.70 | GRIK1 (0.33) | — | |
| SCHEMBL157072 | 0.70 | GRIK1 (0.33) | — | |
| SCHEMBL19265736 | 0.70 | DPP4 (0.30) | — | |
| SCHEMBL13087333 | 0.69 | — | — |
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-2019142128-A1 | DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2019-07-25 | — | — | WO | disclosed |