⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21341037 | 0.77 | — | — | |
| SCHEMBL29771470 | 0.77 | CA1 (0.34) | — | |
| SCHEMBL905746 | 0.76 | CA2 (0.33) | — | |
| Fluoride SCHEMBL8025157 | 0.74 | CA2 (0.32) | — | |
| Fluoride SCHEMBL1500218 | 0.74 | CA2 (0.32) | — | |
| SCHEMBL1167763 | 0.72 | CA2 (0.30) | — | |
| Sulfuric Acid SCHEMBL28101970 | 0.72 | TP53 (0.31) | — | |
| SCHEMBL28090390 | 0.72 | — | — | |
| SCHEMBL11859520 | 0.71 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL9980776 | 0.70 | CA2 (0.33) | — |
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-7479571-B2 | Generation of combinatorial synthetic libraries and screening for novel proadhesins and nonadhesins | CERNOFINA, LLC (US) | 2009-01-20 | — | — | US | disclosed |
| US-7479571-B2 | Generation of combinatorial synthetic libraries and screening for novel proadhesins and nonadhesins | CERNOFINA, LLC (US) | 2009-01-20 | — | — | US | disclosed |