⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14597208 | 0.82 | — | — | |
| SCHEMBL14627858 | 0.80 | — | — | |
| SCHEMBL22651668 | 0.80 | HSD17B10 (0.31) | — | |
| SCHEMBL18934462 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL22193121 | 0.78 | HSD17B10 (0.47) | — | |
| SCHEMBL18882644 | 0.78 | — | — | |
| SCHEMBL23767368 | 0.78 | — | — | |
| SCHEMBL20887111 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL23425343 | 0.76 | MEN1 (0.37) | — | |
| SCHEMBL22755523 | 0.74 | ESR1 (0.39) | — |
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-9650363-B2 | Integrin antagonist conjugates for targeted delivery to cells expressing LFA-1 | HOFFMANN-LA ROCHE INC. (US) | 2017-05-16 | — | — | US | disclosed |