⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9308054 | 0.99 | — | — | |
| SCHEMBL9432651 | 0.90 | — | — | |
| SCHEMBL9845667 | 0.88 | AGTR1 (0.58) | — | |
| Hydrochloric Acid SCHEMBL9308734 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9307554 | 0.85 | — | — | |
| SCHEMBL9160007 | 0.85 | — | — | |
| SCHEMBL9402007 | 0.85 | — | — | |
| SCHEMBL9160015 | 0.85 | — | — | |
| SCHEMBL9402071 | 0.85 | PDE4A (0.64) | — | |
| Hydrochloric Acid SCHEMBL9309771 | 0.85 | — | — |
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-5286729-A | Therapy for congestive heart failure | AMERICAN CYANAMID COMPANY (US) | 1994-02-15 | — | — | US | claimed |