⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8402329 | 0.87 | SLC6A2 (0.31) | — | |
| SCHEMBL9733087 | 0.74 | SLC6A4 (0.36) | — | |
| SCHEMBL6062277 | 0.73 | SLC6A2 (0.30) | — | |
| SCHEMBL11509005 | 0.71 | SLC6A4 (0.33) | — | |
| SCHEMBL13349588 | 0.69 | SLC6A4 (0.38) | — | |
| SCHEMBL27665877 | 0.69 | NAAA (0.40) | — | |
| SCHEMBL27467826 | 0.67 | SLC6A2 (0.33) | — | |
| SCHEMBL4763582 | 0.66 | — | — | |
| SCHEMBL611930 | 0.64 | — | — | |
| SCHEMBL9971223 | 0.64 | SLC6A2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175306-A | Intermediates for hypotensive agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-12-29 | — | — | US | disclosed |
| US-4822894-A | PURE CIS ENANTIOMERS OF FUSED PYRROLE RING CARBOXYLATES | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-04-18 | — | — | US | disclosed |
| US-4668796-A | Racemates of optically active bicyclic imino-alpha-carboxylic esters | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-05-26 | — | — | US | disclosed |