⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3849367 | 0.77 | TDP1 (0.36) | — | |
| SCHEMBL6736479 | 0.68 | — | — | |
| SCHEMBL5969450 | 0.67 | TDP1 (0.35) | — | |
| SCHEMBL31157963 | 0.65 | MAPT (0.32) | — | |
| Hydrochloric Acid SCHEMBL10702529 | 0.65 | FDPS (0.31) | — | |
| SCHEMBL5727910 | 0.65 | — | — | |
| SCHEMBL5066703 | 0.65 | — | — | |
| SCHEMBL22190073 | 0.64 | TDP1 (0.32) | — | |
| SCHEMBL8667766 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL31345272 | 0.59 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001063049-A2 | HIGH OPACITY KAOLIN PIGMENTS AND PREPARATION THEREOF | ENGELHARD CORPORATION (US) | 2001-08-30 | — | — | WO | claimed |