⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1300947 | 0.91 | — | — | |
| SCHEMBL5953079 | 0.74 | ANPEP (0.41) | — | |
| SCHEMBL9903702 | 0.73 | — | — | |
| SCHEMBL661999 | 0.73 | ANPEP (0.34) | — | |
| SCHEMBL18074209 | 0.72 | — | — | |
| SCHEMBL17891917 | 0.72 | ANPEP (0.33) | — | |
| SCHEMBL290668 | 0.69 | ALDH1A1 (0.31) | — | |
| Boric Acid SCHEMBL28236350 | 0.67 | — | — | |
| Boric Acid SCHEMBL28237615 | 0.66 | — | — | |
| SCHEMBL10624549 | 0.64 | — | — |
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-2231665-A2 | NOVEL COMPOSITIONS AND METHODS OF USE | Ardea Biosciences, Inc. (US) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009089263-A2 | NOVEL COMPOSITIONS AND METHODS OF USE | ARDEA BIOSCIENCES INC. (US) | 2009-07-16 | — | — | WO | disclosed |