⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL6422023 | 0.87 | — | — | |
| Bicarbonate SCHEMBL7711200 | 0.84 | — | — | |
| Bicarbonate SCHEMBL27558295 | 0.84 | — | — | |
| Acetic Acid SCHEMBL10410245 | 0.81 | — | — | |
| Bromoacetic Acid SCHEMBL9563093 | 0.79 | — | — | |
| Bromoacetic Acid SCHEMBL7617676 | 0.79 | — | — | |
| Bromoacetic Acid SCHEMBL1332022 | 0.79 | — | — | |
| Bromoacetic Acid SCHEMBL1332313 | 0.79 | — | — | |
| Bromoacetic Acid SCHEMBL16011275 | 0.79 | TSHR (1.00) | — | |
| Bromoacetic Acid SCHEMBL1332132 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414325-A2 | METHOD OF PREPARING AN INHIBITOR OF CYTOCHROME P450 MONOOXYGENASE, AND INTERMEDIATES INVOLVED | Gilead Sciences, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |