⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7722362 | 0.85 | — | — | |
| SCHEMBL18896 | 0.78 | — | — | |
| SCHEMBL2432721 | 0.78 | — | — | |
| SCHEMBL3888279 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL3887319 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL23531515 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL3891669 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL9982849 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL669285 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL27921848 | 0.76 | ALDH1A1 (0.37) | — |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120184583-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | claimed |
| US-20100144798-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-10 | — | — | US | claimed |
| EP-1601657-A1 | PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2005-12-07 | — | — | EP | claimed |
| US-20050113423-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2005-05-26 | — | — | US | claimed |
| WO-2004080972-A1 | PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-23 | — | — | WO | claimed |
| WO-1999011633-A1 | TRIAZINES WITH AN ADENOSINE ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-03-11 | — | — | WO | claimed |
| CN-116693722-A | Polyrotaxane and preparation method thereof | 山东滨州智源生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| US-9522868-B2 | Tetrakis(ether-substituted formylphenyl) | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2016-12-20 | — | — | US | disclosed |
| US-20160016884-A1 | NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2016-01-21 | — | — | US | disclosed |
| CN-105143181-A | Triadic fused cyclic carboxylic acids derivatives, preparation method therefor and pharmaceutical use thereof | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-12-09 | — | — | CN | disclosed |
| US-8921613-B2 | Polynuclear poly(phenol) family | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2014-12-30 | — | — | US | disclosed |
| US-8563770-B2 | Bis(formylphenyl) compound and novel polynuclear polyphenol compound derived from the same | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2013-10-22 | — | — | US | disclosed |
| US-8455511-B2 | Pyrrolopyridine derivatives substituted with cyclic amino group | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2013-06-04 | — | — | US | disclosed |
| US-20050113423-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2005-05-26 | — | — | US | disclosed |
| EP-1467997-A1 | PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-20 | — | — | EP | disclosed |
| WO-2004058767-A1 | PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2004-07-15 | — | — | WO | disclosed |
| WO-1999011633-A1 | TRIAZINES WITH AN ADENOSINE ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-03-11 | — | — | WO | disclosed |
| US-4859759-A | Siloxane containing benzotriazolyl/tetraalkylpiperidyl substituent | KIMBERLY-CLARK CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| US-4407810-A | TREATMENT OF ALLERGIC DISORDERS | BASF AKTIENGESELLSCHAFT (DE) | 1983-10-04 | — | — | US | disclosed |
| EP-0044442-A1 | N-(4-Phenyl-2-thiazolyl)-oxamidic-acid-2-ethoxyethylester, process for its preparation and pharmaceutical compositions containing this compound | BASF Aktiengesellschaft (DE) | 1982-01-27 | — | — | EP | disclosed |