⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27501043 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL1729975 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL27543087 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL27518041 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL23855444 | 0.80 | — | — | |
| SCHEMBL457725 | 0.80 | — | — | |
| SCHEMBL1817953 | 0.77 | CES2 (0.39) | — | |
| SCHEMBL1815421 | 0.77 | CES2 (0.39) | — | |
| SCHEMBL601969 | 0.72 | — | — | |
| SCHEMBL4964198 | 0.72 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125627-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | LYNK PHARMACEUTICALS CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |
| US-7173039-B2 | Protein kinase inhibitors | THERAVANCE, INC. (US) | 2007-02-06 | — | — | US | disclosed |
| EP-1188752-B1 | PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINE DERIVATIVE | IHARA CHEMICAL IND CO (JP) | 2006-11-29 | — | — | EP | disclosed |
| US-7037912-B2 | Protein kinase inhibitors | THERAVANCE, INC. (US) | 2006-05-02 | — | — | US | disclosed |
| CN-1235891-C | Process for producing substituted alkylamine derivative | IHARA CHEMICAL IND CO (JP) | 2006-01-11 | — | — | CN | disclosed |
| US-20050261318-A1 | Protein kinase inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-11-24 | — | — | US | disclosed |
| US-20040235870-A1 | Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-11-25 | — | — | US | disclosed |
| US-6750241-B2 | Protein kinase inhibitors | THERAVANCE, INC. | 2004-06-15 | — | — | US | disclosed |
| US-6608207-B2 | Converting an alkali metal salt of a 2-aminothiophenol to the free base, reacting with an amino acid-N-carboxyanhydride of given formula to form a 2-(2-aminoalkyl)benzothiazole of given formula in high yield; drug, agrochemical intermediate | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-08-19 | — | — | US | disclosed |
| US-20030028032-A1 | PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINE DERIVATIVE | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-02-06 | — | — | US | disclosed |
| US-20020177600-A1 | Protein kinase inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC | 2002-11-28 | — | — | US | disclosed |
| CN-1366522-A | Process for producing substituted alkylamine derivative | IHARA CHEMICAL IND CO (JP) | 2002-08-28 | — | — | CN | disclosed |
| EP-1188752-A1 | PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINE DERIVATIVE | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2002-03-20 | — | — | EP | disclosed |
| US-20020002169-A1 | Protein kinase inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC | 2002-01-03 | — | — | US | disclosed |
| WO-2001042243-A2 | PROTEIN KINASE INHIBITORS | ADVANCED MEDICINE, INC. (US) | 2001-06-14 | — | — | WO | disclosed |