⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17712677 | 0.80 | — | — | |
| SCHEMBL21995235 | 0.78 | — | — | |
| SCHEMBL15664303 | 0.78 | — | — | |
| SCHEMBL21995234 | 0.78 | — | — | |
| SCHEMBL3267121 | 0.78 | — | — | |
| SCHEMBL14157875 | 0.78 | — | — | |
| SCHEMBL15664260 | 0.78 | — | — | |
| SCHEMBL10056006 | 0.77 | SLC7A5 (0.50) | — | |
| SCHEMBL1938866 | 0.77 | — | — | |
| SCHEMBL19428144 | 0.74 | ALDH1A1 (0.35) | — |
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-4447582-A | QUATERNIZATION, CROSSLINKING | COPOLYMER RUBBER & CHEMICAL CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |