⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19232962 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL4275832 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL17538726 | 0.73 | — | — | |
| SCHEMBL1469617 | 0.71 | — | — | |
| SCHEMBL27401 | 0.71 | — | — | |
| SCHEMBL29260485 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL5163318 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL22432601 | 0.69 | — | — | |
| SCHEMBL12879466 | 0.69 | — | — | |
| SCHEMBL26317050 | 0.69 | — | — |
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-20170040631-A1 | PROCESS FOR PRODUCING FLUORINATED ION EXCHANGE RESIN FLUID | ASAHI GLASS COMPANY, LIMITED (JP) | 2017-02-09 | — | — | US | disclosed |
| EP-3002281-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2016-04-06 | — | — | EP | disclosed |