⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11065426 | 0.90 | KMT2A (0.33) | — | |
| SCHEMBL11064022 | 0.89 | PTPN7 (0.37) | — | |
| SCHEMBL11066474 | 0.88 | PTPN7 (0.39) | — | |
| SCHEMBL11070754 | 0.88 | PTPN7 (0.39) | — | |
| SCHEMBL29391104 | 0.86 | — | — | |
| SCHEMBL11064725 | 0.81 | FAAH (0.43) | — | |
| SCHEMBL11064315 | 0.81 | FAAH (0.43) | — | |
| SCHEMBL11070761 | 0.81 | FAAH (0.43) | — | |
| SCHEMBL11063371 | 0.81 | FAAH (0.43) | — | |
| SCHEMBL11063515 | 0.81 | FAAH (0.43) | — |
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-4456619-A | Amides of 2-alkynoic acids and use for inhibiting accumulation of cholesterol ester in arterial walls | SANDOZ, INC. (US) | 1984-06-26 | — | — | US | disclosed |