⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15346171 | 0.81 | — | — | |
| SCHEMBL727619 | 0.77 | KMT2A (0.47) | — | |
| SCHEMBL2317417 | 0.76 | — | — | |
| SCHEMBL17853462 | 0.75 | APAF1 (0.36) | — | |
| SCHEMBL14661169 | 0.75 | KMT2A (0.46) | — | |
| SCHEMBL2156658 | 0.75 | KMT2A (0.46) | — | |
| SCHEMBL30084652 | 0.74 | — | — | |
| SCHEMBL10898929 | 0.72 | — | — | |
| SCHEMBL3283920 | 0.72 | PKM (0.42) | — | |
| Diisopropanolamine SCHEMBL10618901 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0610334-A1 | NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. | GENENTECH INC (US) | 1994-08-17 | — | — | EP | disclosed |