⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL198419 | 1.00 | — | — | |
| SCHEMBL4515906 | 1.00 | — | — | |
| SCHEMBL4520869 | 0.84 | — | — | |
| SCHEMBL4524738 | 0.84 | — | — | |
| SCHEMBL76299 | 0.84 | — | — | |
| SCHEMBL60981 | 0.82 | — | — | |
| SCHEMBL4443036 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28768778 | 0.80 | HRH3 (0.36) | — | |
| SCHEMBL359313 | 0.79 | — | — | |
| SCHEMBL2275564 | 0.77 | SLC6A1 (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7504432-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-03-17 | — | — | US | disclosed |
| US-20070129397-A1 | Ester derivatives | MSD K.K. (JP) | 2007-06-07 | — | — | US | disclosed |
| US-7192969-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20050065211-A1 | Ester derivatives | MSD K.K. (JP) | 2005-03-24 | — | — | US | disclosed |
| EP-1302458-A1 | ESTER DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |