⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9137562 | 0.72 | — | — | |
| SCHEMBL3216331 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL302191 | 0.69 | — | — | |
| SCHEMBL11045961 | 0.69 | CDK1 (0.31) | — | |
| SCHEMBL16817095 | 0.69 | — | — | |
| SCHEMBL6129175 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL217249 | 0.67 | — | — | |
| SCHEMBL10638193 | 0.67 | — | — | |
| SCHEMBL29175062 | 0.67 | — | — | |
| SCHEMBL7179939 | 0.67 | ALDH1A1 (0.33) | — |
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-4436847-A | WEAR RESISTANCE | PPG INDUSTRIES, INC. (US) | 1984-03-13 | — | — | US | disclosed |