⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20100051 | 0.80 | — | — | |
| SCHEMBL7046884 | 0.79 | — | — | |
| SCHEMBL8562622 | 0.77 | — | — | |
| SCHEMBL8546188 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL969859 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL1934622 | 0.72 | HDAC2 (0.32) | — | |
| SCHEMBL8209626 | 0.72 | AKT1 (0.33) | — | |
| SCHEMBL3939619 | 0.70 | — | — | |
| SCHEMBL8541103 | 0.70 | HPGD (0.42) | — | |
| SCHEMBL9673421 | 0.69 | S1PR1 (0.32) | — |
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-4550111-A | BETA-ADRENERGIC BLOCKING AGENTS; DIURETICS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-10-29 | — | — | US | disclosed |