⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17834248 | 0.79 | — | — | |
| SCHEMBL21709554 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL21709555 | 0.72 | EPHX2 (0.33) | — | |
| SCHEMBL16995154 | 0.72 | EPHX2 (0.48) | — | |
| SCHEMBL8549712 | 0.66 | MAOA (0.31) | — | |
| SCHEMBL27557171 | 0.66 | PYCR1 (0.31) | — | |
| SCHEMBL26945502 | 0.65 | MAPK1 (0.31) | — | |
| SCHEMBL11291650 | 0.64 | DPP4 (0.31) | — | |
| SCHEMBL17804031 | 0.61 | — | — | |
| SCHEMBL19437092 | 0.60 | — | — |
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-20200048276-A9 | MYC MODULATORS AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2020-02-13 | — | — | US | disclosed |