⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9165798 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9160129 | 0.78 | HSD17B3 (0.32) | — | |
| SCHEMBL28772877 | 0.75 | HSD17B3 (0.31) | — | |
| SCHEMBL8906030 | 0.74 | — | — | |
| SCHEMBL30612952 | 0.74 | — | — | |
| SCHEMBL11819358 | 0.70 | — | — | |
| SCHEMBL9354627 | 0.69 | — | — | |
| SCHEMBL11300588 | 0.69 | MAPT (0.31) | — | |
| SCHEMBL10510804 | 0.62 | — | — | |
| SCHEMBL7307252 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5659065-A | CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS | NOVARTIS CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0678500-A1 | Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors | CIBA-GEIGY AG (CH) | 1995-10-25 | — | — | EP | disclosed |