⚠ 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 | |
|---|---|---|---|---|
| Gamma-Aminobutyric Acid SCHEMBL28332521 | 0.89 | HDAC3 (0.52) | — | |
| Gamma-Aminobutyric Acid SCHEMBL28879139 | 0.89 | HDAC3 (0.52) | — | |
| Gamma-Aminobutyric Acid SCHEMBL1685715 | 0.89 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL28332520 | 0.89 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL377444 | 0.89 | HDAC3 (0.52) | — | |
| Gamma-Aminobutyric Acid SCHEMBL16177043 | 0.89 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL9283723 | 0.89 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL2768668 | 0.89 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL587045 | 0.89 | HDAC3 (0.52) | — | |
| Gamma-Aminobutyric Acid SCHEMBL587529 | 0.89 | HDAC3 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120040175-A1 | COATED SUBSTRATE | UNIVERSITY COLLEGE LONDON (GB) | 2012-02-16 | — | — | US | disclosed |
| EP-2408722-A1 | COATED SUBSTRATE | UNIVERSITY COLLEGE LONDON (GB) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106370-A1 | COATED SUBSTRATE | UNIVERSITY COLLEGE LONDON (GB) | 2010-09-23 | — | — | WO | disclosed |