⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8814029 | 0.74 | — | — | |
| SCHEMBL504030 | 0.74 | — | — | |
| SCHEMBL6502790 | 0.71 | — | — | |
| Acrylic Acid SCHEMBL8591892 | 0.70 | ALOX15 (0.62) | — | |
| Malonic Acid SCHEMBL31120465 | 0.67 | LDHA (0.60) | — | |
| SCHEMBL377180 | 0.65 | LDHA (0.57) | — | |
| SCHEMBL1980408 | 0.65 | — | — | |
| SCHEMBL24687726 | 0.65 | ALOX15 (0.35) | — | |
| Malonic Acid SCHEMBL132207 | 0.64 | — | — | |
| Malonic Acid SCHEMBL27607730 | 0.64 | LDHA (0.82) | — |
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-9988627-B2 | Formats for organic compounds for use in RNA interference | NOVARTIS AG (CH) | 2018-06-05 | — | — | US | disclosed |