⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL308185 | 0.98 | — | — | |
| SCHEMBL11503958 | 0.84 | KDM4E (0.46) | — | |
| SCHEMBL6442087 | 0.84 | — | — | |
| SCHEMBL12534254 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL27980455 | 0.83 | ALDH1A1 (0.82) | — | |
| SCHEMBL25262333 | 0.82 | KDM4E (0.90) | — | |
| SCHEMBL13758294 | 0.82 | KDM4E (0.90) | — | |
| SCHEMBL11300 | 0.82 | — | — | |
| SCHEMBL4820784 | 0.82 | — | — | |
| SCHEMBL13039132 | 0.82 | KDM4E (0.48) | — |
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-6353138-B1 | USED FOR ABSORPTION REMOVAL OF ACID GASES FROM A FLUID STREAM; USING AN ALDEHYDE TO REMOVE THE REACTIVE PRIMARY AND SECONDARY AMINE AND ALKANOLAMINE IMPURITIES; MEA, DEA, MDEA AND TEA AS ABSORBENT LIQUIDS FOR CO2, H2S, CARBONYL SULFIDE, AND CS2 | BARCLAYS BANK PLC (GB) | 2002-03-05 | — | — | US | disclosed |
| WO-2000069807-A1 | PROCESS FOR PURIFYING AQUEOUS TERTIARY AMINE AND ALKANOLAMINE SOLUTIONS | THE DOW CHEMICAL COMPANY (US) | 2000-11-23 | — | — | WO | disclosed |