⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21941539 | 0.83 | — | — | |
| SCHEMBL21941476 | 0.77 | TDO2 (0.38) | — | |
| SCHEMBL16946791 | 0.66 | TRPA1 (0.35) | — | |
| SCHEMBL18352377 | 0.66 | TRPA1 (0.35) | — | |
| SCHEMBL16946794 | 0.60 | RBP4 (0.34) | — | |
| SCHEMBL1337617 | 0.58 | KMT2A (0.51) | — | |
| SCHEMBL12253387 | 0.58 | KMT2A (0.40) | — | |
| SCHEMBL16948711 | 0.57 | MAP3K7 (0.59) | — | |
| SCHEMBL16948681 | 0.56 | MAP3K7 (0.51) | — | |
| SCHEMBL29936350 | 0.56 | MAPK1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3097107-B1 | DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES | TP THERAPEUTICS INC (US) | 2019-04-17 | — | — | EP | disclosed |