⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1018018 | 0.84 | — | — | |
| SCHEMBL1017339 | 0.81 | — | — | |
| SCHEMBL1016359 | 0.80 | — | — | |
| SCHEMBL1017336 | 0.77 | — | — | |
| SCHEMBL1018017 | 0.73 | — | — | |
| SCHEMBL31070692 | 0.69 | NPC1 (0.33) | — | |
| SCHEMBL1016358 | 0.69 | — | — | |
| SCHEMBL11504971 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL25319211 | 0.67 | — | — | |
| SCHEMBL29491 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1274883-B1 | CORROSION INHIBITOR | BAKER HUGHES INC (US) | 2006-06-28 | — | — | EP | disclosed |
| US-6511613-B1 | For metals in acid liquid; 2,3-diiodo-2-propen-1-ol, which is the reaction product of propargyl alcohol and iodine; iodine in a stable form that does not degrade over time; halogen acid environments for a wide variety of steels; oil and gas wells | BAKER HUGHES INCORPORATED | 2003-01-28 | — | — | US | disclosed |
| US-4997040-A | Steel in subterranean wells | BAKER HUGHES INCORPORATED (US) | 1991-03-05 | — | — | US | disclosed |