⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27299823 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL28014101 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28575084 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL6374033 | 0.70 | ADRB1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL11129369 | 0.69 | CYP3A4 (0.51) | — | |
| SCHEMBL11388523 | 0.69 | CXCR4 (0.34) | — | |
| SCHEMBL10884603 | 0.69 | ADRB2 (0.56) | — | |
| SCHEMBL1172624 | 0.69 | ACHE (0.48) | — | |
| SCHEMBL205947 | 0.69 | ACHE (0.48) | — | |
| Hydrochloric Acid SCHEMBL205946 | 0.66 | ACHE (0.46) | — |
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-4337272-A | BRONCHODILATOR AGENTS | VALEAS S. R. L. INDUSTRIA CHIMICA E FARMACEUTICA (IT) | 1982-06-29 | — | — | US | disclosed |