⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL10531727 | 1.00 | ALDH1A1 (0.30) | — | |
| Propane SCHEMBL1411803 | 0.93 | — | — | |
| Propane SCHEMBL11764520 | 0.93 | — | — | |
| Propane SCHEMBL9488373 | 0.93 | — | — | |
| Propane SCHEMBL27670938 | 0.86 | — | — | |
| Propane SCHEMBL28815775 | 0.86 | — | — | |
| Propane SCHEMBL28326151 | 0.84 | TSHR (0.38) | — | |
| Propane SCHEMBL138156 | 0.84 | — | — | |
| Propene SCHEMBL28921134 | 0.80 | TSHR (0.35) | — | |
| Propane SCHEMBL28867380 | 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 |
|---|---|---|---|---|---|---|---|
| CN-206089504-U | Olefin separation device | 山西省交通科学研究院 | 2017-04-12 | — | — | CN | disclosed |
| WO-1997022661-A1 | IMPROVED POLYTETRAFLUOROETHYLENE ARTICLE | W.L. GORE & ASSOCIATES, INC. (US) | 1997-06-26 | — | — | WO | disclosed |