⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5411165 | 0.84 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL7928848 | 0.78 | — | — | |
| SCHEMBL6671784 | 0.77 | — | — | |
| SCHEMBL9836699 | 0.76 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL4667159 | 0.76 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL9836702 | 0.76 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL18219201 | 0.74 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL11963653 | 0.74 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL18892546 | 0.74 | — | — | |
| SCHEMBL1743181 | 0.73 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2807170-A2 | PHRAGAMALIN LIMONOIDS FOR THE TREATMENT OF SEXUAL DYSFUNCTION | Dicotyledon AB (SE) | 2014-12-03 | — | — | EP | claimed |
| WO-2013110744-A2 | NOVEL COMPOUNDS, THEIR MANUFACTURE AND USES (II) | DICOTYLEDON AB (SE) | 2013-08-01 | — | — | WO | claimed |
| US-4952690-A | 6-substituted thia-aza compounds | CIBA-GEIGY CORPORATION (US) | 1990-08-28 | — | — | US | claimed |
| CN-107616976-A | A kind of pharmaceutical composition of Raltitrexed and preparation method thereof | 南京正大天晴制药有限公司 | 2018-01-23 | — | — | CN | disclosed |
| CN-106588890-A | Antiviral compounds | 吉利德制药有限责任公司 | 2017-04-26 | — | — | CN | disclosed |
| EP-2844634-A1 | NEW INTERMEDIATE COMPOUND FOR PREPARING VITAMIN B6 | DSM IP Assets B.V. (NL) | 2015-03-11 | — | — | EP | disclosed |
| US-20140088252-A1 | METHOD FOR MAKING SPECIFIC PRODUCTS FROM POLYSACCHARIDE MOLECULE | TEKNOLOGIAN TUTKIMUSKESKUS VTT (FI) | 2014-03-27 | — | — | US | disclosed |
| WO-2013163889-A1 | NEW INTERMEDIATE COMPOUND FOR PREPARING VITAMIN B6 | DSM IP ASSETS B.V. (NL) | 2013-11-07 | — | — | WO | disclosed |
| EP-2074109-A1 | METHOD OF PRODUCTION OF ENANTIOMER-ENRICHED ALKYLENE CARBONATES | Evonik Degussa GmbH (DE) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008034685-A1 | METHOD OF PRODUCTION OF ENANTIOMER-ENRICHED ALKYLENE CARBONATES | EVONIK DEGUSSA GMBH (DE) | 2008-03-27 | — | — | WO | disclosed |
| US-4952690-A | 6-substituted thia-aza compounds | CIBA-GEIGY CORPORATION (US) | 1990-08-28 | — | — | US | disclosed |
| US-4692442-A | ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1987-09-08 | — | — | US | disclosed |
| US-4524028-A | PENICILLINS | CIBA-GEIGY CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |
| US-4518533-A | Azetidinone-4-disulfides as intermediates for thia-aza compounds with a beta-lactam ring | CIBA GEIGY CORPORATION (US) | 1985-05-21 | — | — | US | disclosed |
| US-4515717-A | INTERMEDIATES FOR 6-UNSUBSTITUTED PENICILLIN ANTIOBIOTICS | CIBA GEIGY CORPORATION (US) | 1985-05-07 | — | — | US | disclosed |
| US-4500457-A | TREATING AN ACYLOXYAZETIDINONE WITH MERCAPTO COMPOUND, GLYOYLIC ESTER, HALOGENATION AGENT, AND PHOSPHINE COMPOUNT THEN CYCLIZATION | CIBA-GEIGY CORPORATION (US) | 1985-02-19 | — | — | US | disclosed |
| US-4447360-A | Intermediates for thia-aza compounds with a β-lactam ring | CIBA-GEIGY CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |
| EP-0003960-B1 | 6-SUBSTITUTED THIA-AZA-COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1983-06-29 | — | — | EP | disclosed |
| US-4331676-A | 2-PENEM COMPOUNDS UNSUBSTITUTED IN THE 6 POSITION | CIBA-GEIGY CORPORATION (US) | 1982-05-25 | — | — | US | disclosed |
| EP-0003960-A1 | 6-Substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them | CIBA-GEIGY AG (CH) | 1979-09-19 | — | — | EP | disclosed |