⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9734543 | 0.79 | ALPL (0.32) | — | |
| SCHEMBL20368859 | 0.76 | ALPL (0.30) | — | |
| SCHEMBL27881668 | 0.73 | CACNA2D1 (0.33) | — | |
| SCHEMBL29156305 | 0.72 | ALPL (0.30) | — | |
| SCHEMBL10987914 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL26381425 | 0.69 | PLD2 (0.30) | — | |
| SCHEMBL8406298 | 0.68 | — | — | |
| SCHEMBL12663254 | 0.67 | CACNA2D1 (0.30) | — | |
| SCHEMBL8406307 | 0.67 | — | — | |
| SCHEMBL9944694 | 0.66 | ALDH1A1 (0.32) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2640507-B1 | ACID GAS ABSORBENT COMPOSITION | NALCO CO (US) | 2019-05-08 | — | — | EP | disclosed |
| US-8765951-B2 | Acid gas absorbent composition | NALCO COMPANY (US) | 2014-07-01 | — | — | US | disclosed |
| US-8765083-B2 | Acid gas absorbent composition | NALCO COMPANY (US) | 2014-07-01 | — | — | US | disclosed |
| US-8765951-B2 | Acid gas absorbent composition | NALCO COMPANY (US) | 2014-07-01 | — | — | US | disclosed |
| US-8765083-B2 | Acid gas absorbent composition | NALCO COMPANY (US) | 2014-07-01 | — | — | US | disclosed |
| US-20130240782-A1 | ACID GAS ABSORBENT COMPOSITION | CHAMPIONX LLC | 2013-09-19 | — | — | US | disclosed |
| US-20130240782-A1 | ACID GAS ABSORBENT COMPOSITION | CHAMPIONX LLC | 2013-09-19 | — | — | US | disclosed |
| US-20120128561-A1 | ACID GAS ABSORBENT COMPOSITION | US SYNTHETIC CORPORATION | 2012-05-24 | — | — | US | disclosed |
| US-20120128561-A1 | ACID GAS ABSORBENT COMPOSITION | US SYNTHETIC CORPORATION | 2012-05-24 | — | — | US | disclosed |