⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82843 | 0.78 | — | — | |
| Bromide SCHEMBL27835668 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28369527 | 0.77 | — | — | |
| SCHEMBL28059891 | 0.76 | POLB (0.34) | — | |
| SCHEMBL7219785 | 0.76 | — | — | |
| Bromide SCHEMBL31536069 | 0.73 | — | — | |
| SCHEMBL1985304 | 0.73 | — | — | |
| SCHEMBL28815642 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL28885791 | 0.72 | — | — | |
| SCHEMBL9522334 | 0.71 | — | — |
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-20180006253-A1 | ELECTRONIC COMPONENT | MERCK PATENT GMBH (DE) | 2018-01-04 | — | — | US | disclosed |