⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121405 | 0.72 | GSK3B (0.50) | — | |
| SCHEMBL27664385 | 0.72 | GSK3B (0.50) | — | |
| SCHEMBL8040477 | 0.72 | MAPT (0.42) | — | |
| SCHEMBL11120799 | 0.71 | GSK3B (0.48) | — | |
| Aniline SCHEMBL27974390 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL361250 | 0.65 | — | — | |
| SCHEMBL6537555 | 0.65 | PTPN1 (0.44) | — | |
| SCHEMBL3164033 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL8346760 | 0.64 | MAPT (0.40) | — | |
| SCHEMBL8645190 | 0.64 | — | — |
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-5859110-A | Method of decreasing bleed from organic-based formulations and anti-bleed compostitions | JOHNSON MATTHEY, INC. (US) | 1999-01-12 | — | — | US | disclosed |