⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8035951 | 0.83 | — | — | |
| SCHEMBL18235373 | 0.83 | — | — | |
| SCHEMBL2734745 | 0.83 | — | — | |
| SCHEMBL2734760 | 0.81 | CAD (0.44) | — | |
| Hydrochloric Acid SCHEMBL31327943 | 0.81 | CA1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28213710 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL13531172 | 0.79 | — | — | |
| SCHEMBL12301069 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL15075310 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL6559516 | 0.77 | ALDH1A1 (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7759285-B2 | Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction | KOREA ELECTRIC POWER CORPORATION (KR) | 2010-07-20 | — | — | US | claimed |
| CN-101190397-A | Absorbent for separation of carbon dioxide | KOREA ELECTRIC POWER CORP (KR) | 2008-06-04 | — | — | CN | claimed |
| US-20080125314-A1 | Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction | KOREA ELECTRIC POWER CORPORATION (KR) | 2008-05-29 | — | — | US | claimed |
| CN-101190397-B | Absorbent for separation of carbon dioxide | KOREA ELECTRIC POWER CORP | 2011-09-14 | — | — | CN | disclosed |
| US-7759285-B2 | Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction | KOREA ELECTRIC POWER CORPORATION (KR) | 2010-07-20 | — | — | US | disclosed |
| CN-101190397-A | Absorbent for separation of carbon dioxide | KOREA ELECTRIC POWER CORP (KR) | 2008-06-04 | — | — | CN | disclosed |
| US-20080125314-A1 | Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction | KOREA ELECTRIC POWER CORPORATION (KR) | 2008-05-29 | — | — | US | disclosed |