⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27639433 | 0.81 | — | — | |
| SCHEMBL410295 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1813061 | 0.76 | — | — | |
| SCHEMBL7553897 | 0.73 | — | — | |
| SCHEMBL6851465 | 0.73 | CXCR4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL7554361 | 0.70 | — | — | |
| SCHEMBL10973731 | 0.69 | — | — | |
| SCHEMBL2019766 | 0.69 | — | — | |
| SCHEMBL22260338 | 0.69 | HTR2A (0.30) | — | |
| SCHEMBL2012682 | 0.69 | — | — |
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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103896953-A | 2, 4-dihydroxypyrrole [2,3-d ] pyrimidine derivative and preparation method and application thereof | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD | 2014-07-02 | — | — | CN | claimed |
| CN-102869784-A | High mannose glycans | MOMENTA PHARMACEUTICALS INC | 2013-01-09 | — | — | CN | claimed |
| CN-1899248-B | Composition for dyeing keratin fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and an associative polyurethane polymer | OREAL | 2010-12-01 | — | — | CN | claimed |
| CN-101778814-A | aldehydes containing hydroxyl groups | SIKA TECHNOLOGY AG | 2010-07-14 | — | — | CN | claimed |
| CN-1915214-A | Composition for dyeing keratin fibers, comprising at least one diamino-n,n-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye | OREAL (FR) | 2007-02-21 | — | — | CN | claimed |
| CN-1899248-A | Composition for dyeing keratin fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and an associative polyurethane polymer | OREAL (FR) | 2007-01-24 | — | — | CN | claimed |
| CN-1899247-A | Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone dervative, a coupling agent and a selected surface-active agent | OREAL (FR) | 2007-01-24 | — | — | CN | claimed |
| CN-1891192-A | Composition for dyeing keratin fibers, comprising a diamino-n,n-dihydropyrazolone compound, a coupler, and a polyol | OREAL (FR) | 2007-01-10 | — | — | CN | claimed |
| CN-1250192-C | 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre | OREAL (FR) | 2006-04-12 | — | — | CN | claimed |
| CN-1220695-C | Inhibitors of nucleoside metabolism | ALBERT EINSTEIN MEDICAL COLLAG (US) | 2005-09-28 | — | — | CN | claimed |
| CN-1660033-A | Composition for dyeing keratinous fibers comprising at least one diamino-n,n-dihydropyrazolone derivative | OREAL (FR) | 2005-08-31 | — | — | CN | claimed |
| CN-1653070-A | Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase | ASTRAZENECA AB (SE) | 2005-08-10 | — | — | CN | claimed |
| CN-1425365-A | 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre | OREAL (FR) | 2003-06-25 | — | — | CN | claimed |
| CN-1279686-A | Inhibitors of nucleoside metabolism | ALBERT EINSTEIN COLLAGE OF MED (US) | 2001-01-10 | — | — | CN | claimed |
| WO-1998007653-A1 | CHIRAL HYDRIDE COMPLEXES | ZEELAND CHEMICALS, INC. (US) | 1998-02-26 | — | — | WO | claimed |
| CN-1073939-A | A kind of preparation method of cyclic amine compound | EISAI CO LTD (JP) | 1993-07-07 | — | — | CN | claimed |
| CN-1030752-A | Preparation method of cyclic amine compound | EISAI CO LTD (JP) | 1989-02-01 | — | — | CN | claimed |
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| CN-1071417-A | The preparation method of cyclic amine compound | EISAI CO LTD (JP) | 1993-04-28 | — | — | CN | disclosed |
| CN-1030752-A | Preparation method of cyclic amine compound | EISAI CO LTD (JP) | 1989-02-01 | — | — | CN | disclosed |