⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31386 | 0.83 | — | — | |
| SCHEMBL7995237 | 0.79 | — | — | |
| SCHEMBL26091851 | 0.78 | SMN1; SMN2 (0.68) | — | |
| SCHEMBL8519439 | 0.77 | — | — | |
| SCHEMBL787737 | 0.76 | — | — | |
| SCHEMBL1958588 | 0.75 | SMN1; SMN2 (0.81) | — | |
| Hydrochloric Acid SCHEMBL11223043 | 0.74 | — | — | |
| SCHEMBL1417131 | 0.74 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL28276624 | 0.74 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL5494155 | 0.73 | — | — |
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-4161530-A | CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE | CIBA-GEIGY CORPORATION (US) | 1979-07-17 | — | — | US | disclosed |