⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11048301 | 1.00 | — | — | |
| SCHEMBL64140 | 0.97 | — | — | |
| SCHEMBL62881 | 0.97 | — | — | |
| SCHEMBL62882 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1132702 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27622305 | 0.95 | GGT1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL1132934 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1132932 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL14832376 | 0.95 | GGT1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL14832377 | 0.95 | GGT1 (0.46) | — |
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-4487780-A | SUBSTITUTED CYSTEINE COMPOUNDS | SCHEINBERG ISRAEL H | 1984-12-11 | — | — | US | claimed |