⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128333 | 0.94 | — | — | |
| SCHEMBL16621836 | 0.94 | — | — | |
| SCHEMBL16621837 | 0.94 | — | — | |
| SCHEMBL14463419 | 0.92 | TP53 (0.58) | — | |
| SCHEMBL9900277 | 0.92 | TP53 (0.58) | — | |
| SCHEMBL9819915 | 0.92 | TP53 (0.58) | — | |
| SCHEMBL128975 | 0.92 | TP53 (0.58) | — | |
| SCHEMBL14463375 | 0.92 | TP53 (0.58) | — | |
| SCHEMBL7081140 | 0.92 | TP53 (0.58) | — | |
| SCHEMBL11692614 | 0.90 | TP53 (0.56) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648675-A1 | HAIR RELAXING AND STRAIGHTENING COMPOSITIONS | International Flora Technologies, Ltd. (US) | 2013-10-16 | — | — | EP | claimed |
| US-20120148517-A1 | Hair Relaxing and Straightening Compositions | INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) | 2012-06-14 | — | — | US | claimed |
| WO-2012078658-A1 | HAIR RELAXING AND STRAIGHTENING COMPOSITIONS | INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) | 2012-06-14 | — | — | WO | claimed |
| CN-117881667-A | Herbicide malonamides containing a condensed ring system | 巴斯夫欧洲公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-117881662-A | Herbicide malonamide containing monocyclic heteroaromatic ring | 巴斯夫欧洲公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-117285547-A | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-112004817-B | Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation | 弗特克斯药品有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116120295-A | N-substituted imidazole formate derivative and application thereof | 成都麻沸散医药科技有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-112004817-A | Macrocyclic compounds as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions thereof, their use in the treatment of cystic fibrosis, and processes for their preparation | 弗特克斯药品有限公司 | 2020-11-27 | — | — | CN | disclosed |
| US-10844076-B2 | Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine | NEKTAR THERAPEUTICS (US) | 2020-11-24 | — | — | US | disclosed |
| US-20190071454-A1 | DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE | NEKTAR THERAPEUTICS | 2019-03-07 | — | — | US | disclosed |
| US-20120148517-A1 | Hair Relaxing and Straightening Compositions | INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) | 2012-06-14 | — | — | US | disclosed |
| WO-2012078658-A1 | HAIR RELAXING AND STRAIGHTENING COMPOSITIONS | INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) | 2012-06-14 | — | — | WO | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20100113821-A1 | PREPARATION OF 3-AMINO-3-(CYCLOBUTYLMETHYL)-2-(HYDROXY)-PROPIONAMIDE HYDROCHLORIDE | SCHERING-PLOUGH CORPORATION (US) | 2010-05-06 | — | — | US | disclosed |
| US-20090134042-A1 | POLYMERASE-IMMOBILIZED ELECTRODE | CANON KABUSHIKI KAISHA (JP) | 2009-05-28 | — | — | US | disclosed |
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |
| US-4987132-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1991-01-22 | — | — | US | disclosed |