⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29957937 | 1.00 | — | — | |
| SCHEMBL10886371 | 0.80 | — | — | |
| SCHEMBL10886363 | 0.78 | — | — | |
| SCHEMBL2008983 | 0.75 | — | — | |
| SCHEMBL79543 | 0.74 | — | — | |
| SCHEMBL21628043 | 0.73 | TYR (0.46) | — | |
| Formic Acid SCHEMBL28939441 | 0.71 | ALOX5 (0.46) | — | |
| SCHEMBL14008529 | 0.70 | ALOX5 (0.44) | — | |
| SCHEMBL142208 | 0.70 | — | — | |
| SCHEMBL11803243 | 0.70 | ALOX5 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773953-A1 | COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME | THE SCRIPPS INSTITUTE (US) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996003424-A1 | COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-02-08 | — | — | WO | disclosed |