⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2208011 | 0.76 | — | — | |
| SCHEMBL22282 | 0.74 | — | — | |
| SCHEMBL452958 | 0.71 | — | — | |
| Water SCHEMBL9629496 | 0.70 | — | — | |
| SCHEMBL8136237 | 0.70 | — | — | |
| SCHEMBL33776 | 0.70 | — | — | |
| Trimethylammonium SCHEMBL27287422 | 0.67 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL10657660 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9275146 | 0.67 | — | — | |
| SCHEMBL4758979 | 0.65 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110099682-A | Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof | 杭州多禧生物科技有限公司 | 2019-08-06 | — | — | CN | claimed |
| CN-1349797-A | Attenuant for preserving pig's sperm | IMV TECHNOLOGY CO (FR) | 2002-05-22 | — | — | CN | claimed |
| CN-107949557-B | 2-aryl-and 2-aralkyl-benzimidazoles as mIDH1 inhibitors | 德国癌症研究公共权益基金会 | 2021-11-02 | — | — | CN | disclosed |
| CN-108026052-B | 5-hydroxyalkyl benzimidazoles as mIDH1 inhibitors | 德国癌症研究公共权益基金会 | 2021-10-08 | — | — | CN | disclosed |
| CN-108026052-A | 5-hydroxyalkyl benzimidazoles as mIDH1 inhibitors | 拜耳制药股份公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107949557-A | 2 aryl and 2 aralkyl benzimidazoles as mIDH1 inhibitor | 拜耳制药股份公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-107848974-A | Aromatic sulfonamide derivatives | 拜耳制药股份公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-101454330-B | Hydroxylated Amide Skin Moisturizer | OREAL | 2013-08-14 | — | — | CN | disclosed |
| CN-101501054-A | Phosphoramidate alkylator prodrugs | THRESHOLD PHARMACEUTICALS INC (US) | 2009-08-05 | — | — | CN | disclosed |
| CN-101454330-A | Hydroxylated amide skin moisturizer | OREAL (FR) | 2009-06-10 | — | — | CN | disclosed |
| CN-1349797-A | Attenuant for preserving pig's sperm | IMV TECHNOLOGY CO (FR) | 2002-05-22 | — | — | CN | disclosed |
| CN-1029784-C | Method of chain combination | GENENTECH INC (US) | 1995-09-20 | — | — | CN | disclosed |
| US-5112741-A | Reaction with an amine | ENZYMATICS, INC. (US) | 1992-05-12 | — | — | US | disclosed |
| CN-1046675-A | Preparation method of dobutamine salt pharmaceutical composition | LILLY CO ELI (US) | 1990-11-07 | — | — | CN | disclosed |
| CN-1009922-B | Preparation method of dobutamine salt | LILLY CO ELI (US) | 1990-10-10 | — | — | CN | disclosed |
| CN-87104447-A | Method for combining chains | — | 1988-02-10 | — | — | CN | disclosed |
| CN-85109229-A | Preparation method and application of dobutamine salt | — | 1986-10-01 | — | — | CN | disclosed |