⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5354 | 0.92 | — | — | |
| Bromide SCHEMBL28830309 | 0.88 | — | — | |
| SCHEMBL11695182 | 0.88 | — | — | |
| Iodide SCHEMBL27949577 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL2671055 | 0.88 | — | — | |
| SCHEMBL7586263 | 0.88 | — | — | |
| SCHEMBL27625113 | 0.88 | — | — | |
| SCHEMBL7608901 | 0.88 | — | — | |
| Fluoride SCHEMBL11339901 | 0.88 | — | — | |
| SCHEMBL27942423 | 0.88 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1656095-A4 | N,N-DIHALOGENATED AMINO ACIDS AND DERIVATIVES | NOVACAL PHARMACEUTICALS INC (US) | 2007-11-28 | — | — | EP | disclosed |
| EP-1656095-A2 | N,N-DIHALOGENATED AMINO ACIDS AND DERIVATIVES | NovaCal Pharmaceuticals, Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005020896-A2 | N,N-DIHALOGENATED AMINO ACIDS AND DERIVATIVES | NOVACAL PHARMACEUTICALS, INC. (US) | 2005-03-10 | — | — | WO | disclosed |