⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7315139 | 0.90 | — | — | |
| SCHEMBL9260598 | 0.90 | SLC33A1 (0.45) | — | |
| SCHEMBL7320487 | 0.89 | AGTR1 (0.41) | — | |
| SCHEMBL9261174 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL7317120 | 0.83 | SLC33A1 (0.40) | — | |
| Pyrrolidine SCHEMBL7313042 | 0.83 | HTR2A (0.41) | — | |
| SCHEMBL9255550 | 0.82 | SLC33A1 (0.42) | — | |
| Morpholine SCHEMBL7319945 | 0.82 | HTR2A (0.41) | — | |
| SCHEMBL9262460 | 0.81 | AGTR1 (0.39) | — | |
| SCHEMBL7313030 | 0.81 | — | — |
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-5389632-A | Cardiovascular disorders | LABORATOIRES UPSA (FR) | 1995-02-14 | — | — | US | disclosed |
| US-5231094-A | Cardiovascular disorders | SOCIETE ANONYME: LABORATOIRES UPSA (FR) | 1993-07-27 | — | — | US | disclosed |