⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28227999 | 0.98 | CYP2D6 (0.41) | — | |
| SCHEMBL27492429 | 0.82 | CYP2D6 (0.44) | — | |
| SCHEMBL8719794 | 0.80 | — | — | |
| SCHEMBL4627051 | 0.78 | — | — | |
| SCHEMBL5530357 | 0.78 | CYP2D6 (0.37) | — | |
| SCHEMBL943051 | 0.78 | CYP2D6 (0.37) | — | |
| SCHEMBL27762872 | 0.76 | MMP1 (0.41) | — | |
| SCHEMBL27523596 | 0.76 | CYP2D6 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL27695584 | 0.75 | MMP1 (0.39) | — | |
| SCHEMBL28214912 | 0.73 | ALDH1A1 (0.44) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107987189-A | A kind of catalyst component for olefin and its preparation method and application | 中国石油化工股份有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-1244575-C | Sulfonylalkylamido hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 2006-03-08 | — | — | CN | disclosed |
| CN-1204144-C | Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 2005-06-01 | — | — | CN | disclosed |
| CN-1178954-C | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G��D��ɪ����˾ | 2004-12-08 | — | — | CN | disclosed |
| EP-1355886-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002062764-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-15 | — | — | WO | disclosed |
| CN-1196732-A | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 1998-10-21 | — | — | CN | disclosed |
| CN-1186499-A | Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 1998-07-01 | — | — | CN | disclosed |
| CN-1183767-A | Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 1998-06-03 | — | — | CN | disclosed |
| CN-1183102-A | Heterocyclic carbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 1998-05-27 | — | — | CN | disclosed |
| US-5672615-A | MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS | NOVARTIS CORPORATION (US) | 1997-09-30 | — | — | US | disclosed |