⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28548939 | 1.00 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5866306 | 0.82 | CA1 (0.38) | — | |
| SCHEMBL5918112 | 0.80 | CA1 (0.48) | — | |
| SCHEMBL13766051 | 0.76 | — | — | |
| SCHEMBL10628880 | 0.76 | — | — | |
| SCHEMBL23631939 | 0.76 | — | — | |
| SCHEMBL15048937 | 0.76 | — | — | |
| SCHEMBL1117680 | 0.76 | — | — | |
| SCHEMBL2332955 | 0.76 | — | — | |
| SCHEMBL11058566 | 0.76 | KDM4E (0.50) | — |
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-7326698-B2 | Prostaglandin analogs | ALLERGAN, INC. (US) | 2008-02-05 | — | — | US | disclosed |
| US-20070054893-A1 | Prostaglandin analogs | ALLERGAN, INC. | 2007-03-08 | — | — | US | disclosed |