⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19970520 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL19970531 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL19982512 | 0.83 | TLR4 (0.31) | — | |
| SCHEMBL19970496 | 0.83 | POLB (0.35) | — | |
| SCHEMBL20111188 | 0.78 | TLR4 (0.39) | — | |
| SCHEMBL19970498 | 0.77 | RORC (0.36) | — | |
| SCHEMBL19970506 | 0.76 | P2RX7 (0.36) | — | |
| SCHEMBL19970518 | 0.76 | P2RX7 (0.32) | — | |
| SCHEMBL19970475 | 0.76 | SLC6A2 (0.33) | — | |
| SCHEMBL19970493 | 0.75 | HSD11B1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180118708-A1 | CYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |
| EP-3296296-A1 | CYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-03-21 | — | — | EP | disclosed |