⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL811627 | 0.85 | ADRB2 (0.35) | — | |
| SCHEMBL28317996 | 0.80 | — | — | |
| SCHEMBL16889087 | 0.80 | — | — | |
| SCHEMBL30925213 | 0.78 | ADH1B (0.36) | — | |
| SCHEMBL28220452 | 0.78 | — | — | |
| SCHEMBL7483246 | 0.78 | — | — | |
| SCHEMBL19091242 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL20988304 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL30704263 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL24025324 | 0.74 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| CN-105008022-B | Liquid for absorbing and recovering carbon dioxide in gas, and method for recovering carbon dioxide using same | 新日铁住金株式会社 | 2018-06-05 | — | — | CN | disclosed |
| CN-107540565-A | The preparation of N, N (two) alkyl amino alkyl (methyl) acrylamide or corresponding ester and its quaternary ammonium salt | 赢创罗姆有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-105008022-A | Liquid for absorbing and recovering carbon dioxide in gas, and method for recovering carbon dioxide using same | NIPPON STEEL & SUMITOMO METAL CORP | 2015-10-28 | — | — | CN | disclosed |