⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50349 | 0.97 | — | — | |
| SCHEMBL7269472 | 0.97 | — | — | |
| SCHEMBL52153 | 0.82 | — | — | |
| SCHEMBL20446745 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL9720154 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL3109490 | 0.80 | ALDH1A1 (0.54) | — | |
| SCHEMBL22152197 | 0.80 | CHRM2 (0.47) | — | |
| SCHEMBL1772739 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL3118933 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL15936074 | 0.78 | ALDH1A1 (0.58) | — |
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-4433079-A | EPOXY RESIN (OR POLYEPOXIDE) WITH A POLYETHYLENIMINE MODIFIED WITH A MONOEPOXY COMPOUND | NIPPON SODA COMPANY LIMITED (JP) | 1984-02-21 | — | — | US | disclosed |