⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11570650 | 0.87 | SLC6A3 (0.42) | — | |
| SCHEMBL19304421 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL27751448 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL5555489 | 0.84 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL15526208 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL3477701 | 0.82 | DRD4 (0.37) | — | |
| SCHEMBL129956 | 0.81 | — | — | |
| SCHEMBL7278988 | 0.80 | — | — | |
| SCHEMBL634118 | 0.80 | — | — | |
| SCHEMBL8064760 | 0.80 | — | — |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230045960-A1 | SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2023-02-16 | — | — | US | disclosed |
| US-11330821-B2 | Herbicidal compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2022-05-17 | — | — | US | disclosed |
| US-11191762-B2 | Alkyl substituted triazole compounds as agonists of the APJ Receptor | AMGEN INC. (US) | 2021-12-07 | — | — | US | disclosed |
| EP-3541805-B1 | HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS | AMGEN INC (US) | 2020-10-14 | — | — | EP | disclosed |
| US-20190290647-A1 | ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2019-09-26 | — | — | US | disclosed |
| US-20180116219-A1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2018-05-03 | — | — | US | disclosed |
| US-9670172-B2 | Heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| US-9617268-B2 | Compounds for treating spinal muscular atrophy | PTC THERAPEUTICS, INC. (US) | 2017-04-11 | — | — | US | disclosed |
| WO-2017046059-A1 | PERFUME COMPOSITION HAVING SCENT MODULATOR COMPOUNDS FOR INCREASING THE FRAGRANCE INTENSITY | HENKEL AG & CO. KGAA (DE) | 2017-03-23 | — | — | WO | disclosed |
| US-20150119380-A1 | COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-30 | — | — | US | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| US-7452555-B2 | Cocrystallization | S.S.C.I., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |
| US-7384952-B2 | Pyrazolopyrimidine compound and a process for preparing the same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-06-10 | — | — | US | disclosed |
| US-20080081817-A1 | Nitrogenous Fused Bicyclic Compound | TANABE SEIYAKU CO., LTD. (JP) | 2008-04-03 | — | — | US | disclosed |
| US-20070287194-A1 | Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound | S.S.C.I., INC | 2007-12-13 | — | — | US | disclosed |
| EP-1857459-A2 | Pyrazolopyrimidine compound and a process for preparing the same | TANABE SEIYAKU CO., LTD. (JP) | 2007-11-21 | — | — | EP | disclosed |
| US-20070088508-A1 | Cocrystallization methods | APTUIT (WEST LAFAYETTE), LLC | 2007-04-19 | — | — | US | disclosed |
| US-6579553-B1 | Reaction product cysteine, hydrogen sulfide, ammonium sulfide and extracellular liquid fusarium extracts used as food flavors | ZENECA LIMITED (GB) | 2003-06-17 | — | — | US | disclosed |
| CN-1285717-A | Flavorants from yeast extracts | MALRA FOOD CO (GB) | 2001-02-28 | — | — | CN | disclosed |