⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2278785 | 0.57 | — | — | |
| SCHEMBL19675434 | 0.57 | — | — | |
| SCHEMBL5653901 | 0.57 | — | — | |
| SCHEMBL7163646 | 0.53 | TSHR (0.32) | — | |
| SCHEMBL8055881 | 0.46 | TSHR (0.39) | — | |
| SCHEMBL7169931 | 0.46 | TSHR (0.32) | — | |
| SCHEMBL3720483 | 0.42 | — | — | |
| SCHEMBL4651248 | 0.41 | — | — | |
| SCHEMBL672601 | 0.40 | GRIA1 (0.48) | — | |
| SCHEMBL1525964 | 0.39 | DRD4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5811548-A | USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES | HOFFMANN-LA ROCHE INC. (US) | 1998-09-22 | — | — | US | disclosed |
| US-5811389-A | INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-22 | — | — | US | disclosed |