⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8752303 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL588441 | 0.74 | — | — | |
| SCHEMBL2002982 | 0.69 | — | — | |
| SCHEMBL3625131 | 0.69 | — | — | |
| SCHEMBL16385089 | 0.69 | — | — | |
| SCHEMBL29070638 | 0.67 | — | — | |
| SCHEMBL1999656 | 0.67 | — | — | |
| SCHEMBL8621383 | 0.67 | — | — | |
| SCHEMBL17611589 | 0.65 | — | — | |
| SCHEMBL1997969 | 0.65 | — | — |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112341378-A | Urea substituted alkynyl pyrimidine or urea substituted alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2021-02-09 | — | — | CN | claimed |
| WO-2020156283-A1 | ALKYNYLPYRIMIDINE OR ALKYNYLPYRIDINE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2020-08-06 | — | — | WO | claimed |
| CN-111484482-A | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2020-08-04 | — | — | CN | claimed |
| EP-1274411-B1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | LUNDBECK & CO AS H (DK) | 2005-07-27 | — | — | EP | claimed |
| US-20040138281-A1 | Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use | AXON BIOCHEMICALS B.V. (NL) | 2004-07-15 | — | — | US | claimed |
| US-20030087948-A1 | Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use | H. LUNDBECK A/S (DK) | 2003-05-08 | — | — | US | claimed |
| EP-0879826-B1 | POLYSACCHARIDE DERIVATIVES AND HYDRAULIC COMPOSITIONS | KAO CORP (JP) | 2002-10-23 | — | — | EP | claimed |
| US-20240139214-A1 | AGENT FOR SUPPRESSING IL-31 PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2024-05-02 | — | — | US | disclosed |
| CN-111484482-B | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-112341378-A | Urea substituted alkynyl pyrimidine or urea substituted alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2021-02-09 | — | — | CN | disclosed |
| WO-2020156283-A1 | ALKYNYLPYRIMIDINE OR ALKYNYLPYRIDINE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2020-08-06 | — | — | WO | disclosed |
| CN-111484482-A | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2020-08-04 | — | — | CN | disclosed |
| US-9187450-B2 | Substituted pyridine compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-11-17 | — | — | US | disclosed |
| US-6683087-B2 | TREATMENT OF PARKINSON'S DISEASE, PSYCHOSES, HUNTINGTON'S DISEASE, IMPOTENCE, RENAL FAILURE, HEART FAILURE OR HYPERTENSION | AXON BIOCHEMICALS B.V. (NL) | 2004-01-27 | — | — | US | disclosed |
| CN-1450894-A | Phenylethylamines and fused ring variants as prodrugs of catecholamines and uses thereof | AXON BIOCHEMICALS BV (NL) | 2003-10-22 | — | — | CN | disclosed |
| US-20030087948-A1 | Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use | H. LUNDBECK A/S (DK) | 2003-05-08 | — | — | US | disclosed |
| US-20030087948-A1 | Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use | H. LUNDBECK A/S (DK) | 2003-05-08 | — | — | US | disclosed |
| EP-1274411-A1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | Axon Biochemicals B.V. (NL) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001078713-A1 | PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE | AXON BIOCHEMICALS B.V. (NL) | 2001-10-25 | — | — | WO | disclosed |
| US-5429767-A | Storage-stable whitener formulation | CIBA-GEIGY CORPORATION (US) | 1995-07-04 | — | — | US | disclosed |