⚠ 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL4667362 | 1.00 | TSHR (0.58) | — | |
| Decane SCHEMBL27499722 | 0.88 | TSHR (0.61) | — | |
| Nonane SCHEMBL4543993 | 0.88 | TSHR (0.61) | — | |
| Decane SCHEMBL28763742 | 0.85 | TSHR (0.58) | — | |
| Butane SCHEMBL705926 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL27487747 | 0.82 | — | — | |
| Pentane SCHEMBL27497697 | 0.80 | — | — | |
| Pentane SCHEMBL28075610 | 0.80 | — | — | |
| Pentane SCHEMBL27173110 | 0.80 | — | — | |
| Pentane SCHEMBL27910864 | 0.77 | — | — |
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-20070284310-A1 | Method and system for purifying ethanol | VAN LEEUWEN JOHANNES | 2007-12-13 | — | — | US | claimed |
| CN-108276278-B | Method for preparing influenza virus replication inhibitor | 沃泰克斯药物股份有限公司 | 2021-04-20 | — | — | CN | disclosed |