⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11911688 | 1.00 | — | — | |
| SCHEMBL10002060 | 1.00 | — | — | |
| SCHEMBL13017377 | 0.81 | — | — | |
| SCHEMBL13017376 | 0.81 | — | — | |
| SCHEMBL16865718 | 0.80 | — | — | |
| SCHEMBL22589981 | 0.77 | — | — | |
| SCHEMBL1704313 | 0.75 | — | — | |
| SCHEMBL13326909 | 0.75 | — | — | |
| SCHEMBL13326910 | 0.75 | — | — | |
| SCHEMBL8215920 | 0.74 | — | — |
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-8232294-B2 | Amino ester derivatives, sailts thereof and methods of use | Xi, Ning (US) | 2012-07-31 | — | — | US | disclosed |
| US-20110053945-A1 | SALTS OF 6-(5-CHLORO-2-PYRIDYL)-5-[(4-METHYL-1-PIPERAZINYL)CARBONYLOXY]-7-OXO-6,7-DIHY-DRO-5H-PYRROLO[3,4-B]PYRAZINE | SEPRACOR INC. (US) | 2011-03-03 | — | — | US | disclosed |