⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2320377 | 0.78 | CA1 (0.39) | — | |
| SCHEMBL15572589 | 0.74 | GAA (0.35) | — | |
| SCHEMBL3739006 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL23671721 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL3339305 | 0.67 | MAPT (0.32) | — | |
| SCHEMBL21987804 | 0.65 | MAPT (0.35) | — | |
| Perbromobenzene SCHEMBL27124 | 0.62 | ALDH1A1 (0.50) | — | |
| SCHEMBL14667005 | 0.61 | — | — | |
| SCHEMBL19924604 | 0.61 | — | — | |
| SCHEMBL15750973 | 0.59 | IDH1 (0.32) | — |
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-4792508-A | STEREOISOMERIC NAPHTHALENE IMIDAZOLE PERYLENES, ARYL AMINES | XEROX CORPORATION (US) | 1988-12-20 | — | — | US | disclosed |