⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10296137 | 1.00 | — | — | |
| SCHEMBL15834073 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28241322 | 0.97 | USP2 (0.36) | — | |
| SCHEMBL10296126 | 0.80 | USP2 (0.34) | — | |
| SCHEMBL25719293 | 0.80 | HDAC7 (0.43) | — | |
| SCHEMBL13227770 | 0.80 | HDAC7 (0.43) | — | |
| SCHEMBL19993047 | 0.79 | — | — | |
| SCHEMBL15765660 | 0.79 | — | — | |
| SCHEMBL14588571 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL15159359 | 0.78 | KDM4E (0.43) | — |
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-9730976-B2 | Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers | BIONTECH AG (DE) | 2017-08-15 | — | — | US | disclosed |