⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7525108 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL28530397 | 0.78 | — | — | |
| SCHEMBL27676666 | 0.76 | — | — | |
| SCHEMBL2236622 | 0.74 | — | — | |
| SCHEMBL7178184 | 0.74 | TAS2R38 (0.33) | — | |
| SCHEMBL28322075 | 0.72 | TAS2R38 (0.32) | — | |
| Phosphine SCHEMBL28108307 | 0.70 | CA1 (0.32) | — | |
| SCHEMBL28384712 | 0.67 | — | — | |
| SCHEMBL28826281 | 0.67 | — | — | |
| SCHEMBL4956404 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2533775-A1 | CARBONIC ANHYDRASE INHIBITORS | Universita' Degli Studi di Firenze (IT) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011098610-A1 | CARBONIC ANHYDRASE INHIBITORS | UNIVERSITA DEGLI STUDI DI FIRENZE (IT) | 2011-08-18 | — | — | WO | disclosed |