⚠ 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 | |
|---|---|---|---|---|
| Bromoacetic Acid SCHEMBL1645768 | 0.96 | — | — | |
| Bromoacetic Acid SCHEMBL15646451 | 0.88 | — | — | |
| Bromoacetic Acid SCHEMBL16011275 | 0.88 | TSHR (1.00) | — | |
| Bromoacetic Acid SCHEMBL1332132 | 0.88 | — | — | |
| Bromoacetic Acid SCHEMBL1332022 | 0.88 | — | — | |
| Bromoacetic Acid SCHEMBL7617676 | 0.88 | — | — | |
| Bromoacetic Acid SCHEMBL1332313 | 0.88 | — | — | |
| Bromoacetic Acid SCHEMBL23032 | 0.88 | — | — | |
| Bromoacetic Acid SCHEMBL28127332 | 0.85 | — | — | |
| Bromoacetic Acid SCHEMBL2188274 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010104929-A1 | SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF | ELIXIR PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |