⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL703420 | 1.00 | CA12 (0.48) | — | |
| SCHEMBL2257027 | 0.97 | — | — | |
| SCHEMBL9870252 | 0.97 | CA12 (0.50) | — | |
| SCHEMBL28374546 | 0.94 | CA12 (0.48) | — | |
| SCHEMBL8740580 | 0.94 | CA12 (0.48) | — | |
| SCHEMBL19514788 | 0.91 | CA12 (0.46) | — | |
| Tetramethylammonium Ion SCHEMBL28773575 | 0.88 | CA12 (0.43) | — | |
| Methyl Alcohol SCHEMBL8655134 | 0.88 | CA12 (0.43) | — | |
| SCHEMBL9182957 | 0.88 | CA12 (0.43) | — | |
| Tetrylammonium SCHEMBL28773595 | 0.80 | CA12 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008037060-A1 | METHODS FOR CORROSION CONTROL OF STEEL IN AQUEOUS ENVIRONMENT USING PASSIVE IRON-SULPHUR LAYERS | CORRXAN CHEMICALS LTD. (CA) | 2008-04-03 | — | — | WO | claimed |
| US-20110259476-A1 | METHODS FOR CORROSION CONTROL OF STEEL IN AQUEOUS ENVIRONMENT USING PASSIVE IRON-SULPHUR LAYERS | CORRXAN CHEMICALS LTD. (CA) | 2011-10-27 | — | — | US | disclosed |
| WO-2008037060-A1 | METHODS FOR CORROSION CONTROL OF STEEL IN AQUEOUS ENVIRONMENT USING PASSIVE IRON-SULPHUR LAYERS | CORRXAN CHEMICALS LTD. (CA) | 2008-04-03 | — | — | WO | disclosed |