⚠ 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 SCHEMBL7873677 | 0.93 | — | — | |
| Propane SCHEMBL27278458 | 0.84 | — | — | |
| Propane SCHEMBL11861400 | 0.84 | — | — | |
| Propane SCHEMBL198418 | 0.84 | — | — | |
| Alcohol SCHEMBL29111504 | 0.80 | — | — | |
| Propane SCHEMBL11040682 | 0.77 | ALDH1A1 (0.33) | — | |
| Propane SCHEMBL9239545 | 0.77 | — | — | |
| Propane SCHEMBL1992469 | 0.77 | — | — | |
| Propane SCHEMBL8677574 | 0.77 | TSHR (0.50) | — | |
| Propane SCHEMBL28848699 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2004017037-A2 | SYSTEM AND METHOD OF DETECTING A FLUID LEAK BY TEMPERATURE CHANGE | SENSOR HIGHWAY LIMITED (GB) | 2004-02-26 | — | — | WO | claimed |
| WO-2004017037-A2 | SYSTEM AND METHOD OF DETECTING A FLUID LEAK BY TEMPERATURE CHANGE | SENSOR HIGHWAY LIMITED (GB) | 2004-02-26 | — | — | WO | disclosed |