⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8865606 | 1.00 | — | — | |
| SCHEMBL8865588 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7419255 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7419244 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL7419250 | 0.99 | — | — | |
| SCHEMBL8865729 | 0.89 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL8865736 | 0.88 | MAPT (0.58) | — | |
| Hydrochloric Acid SCHEMBL8865722 | 0.88 | MAPT (0.58) | — | |
| Hydrochloric Acid SCHEMBL8865743 | 0.88 | MAPT (0.58) | — | |
| SCHEMBL7420242 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5608069-A | TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID | NOVO NORDISK A/S (DK) | 1997-03-04 | — | — | US | claimed |