⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4959977 | 0.79 | — | — | |
| SCHEMBL28519658 | 0.79 | — | — | |
| Bromide SCHEMBL28501494 | 0.77 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL10380831 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL13577776 | 0.76 | — | — | |
| SCHEMBL15114136 | 0.75 | — | — | |
| SCHEMBL1817888 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL1007132 | 0.74 | — | — | |
| SCHEMBL5099033 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL29191276 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008110351-A2 | USE OF (R) AND (S)-2-ARYL-PROPIONIC ACID DERIVATIVES AS ANTISEPTIC AGENTS | DOMPE' PHA.R.MA S.P.A. (IT) | 2008-09-18 | — | — | WO | disclosed |
| EP-0237495-A2 | Halogenides of the ester of 2,N,N,N-dimethyl-alkyl-amino-ethanol with substituted acetic acid and pharmaceutical compositions having antiinflammatory and antiseptic activities containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1987-09-16 | — | — | EP | disclosed |