⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6467956 | 0.83 | — | — | |
| SCHEMBL6468663 | 0.81 | TRPA1 (0.54) | — | |
| SCHEMBL131191 | 0.80 | — | — | |
| SCHEMBL117080 | 0.79 | POLB (0.55) | — | |
| SCHEMBL2560513 | 0.79 | POLB (0.55) | — | |
| SCHEMBL9114018 | 0.79 | POLB (0.55) | — | |
| SCHEMBL951859 | 0.79 | POLB (0.55) | — | |
| SCHEMBL116978 | 0.79 | POLB (0.55) | — | |
| SCHEMBL6467411 | 0.79 | POLB (0.55) | — | |
| SCHEMBL9113837 | 0.79 | POLB (0.55) | — |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050197338-A1 | Substituted pyrazole urea compounds for the treatment of inflammation | PHARMACIA AND UPJOHN COMPANY LLC | 2005-09-08 | — | — | US | claimed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | claimed |
| US-4107197-A | KETONE REACTED WITH SULFURYL CHLORIDE, ALPHA-CHLORO KETONE REACTED WITH ALKALI METAL COMPOUND | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-08-15 | — | — | US | claimed |
| US-4061796-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-12-06 | — | — | US | claimed |
| US-4045491-A | PERFUMES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-30 | — | — | US | claimed |
| WO-2023176458-A1 | DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND | 石原産業株式会社 | 2023-09-21 | — | — | WO | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | 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-20050197338-A1 | Substituted pyrazole urea compounds for the treatment of inflammation | PHARMACIA AND UPJOHN COMPANY LLC | 2005-09-08 | — | — | US | disclosed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | disclosed |
| US-4053655-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4053655-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4053654-A | Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4045491-A | PERFUMES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-30 | — | — | US | disclosed |
| US-4045491-A | PERFUMES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-30 | — | — | US | disclosed |
| US-4044164-A | BERRY, CEREAL, NUT, BROCCOLI, ONION, CITRUS, JASMIN, MILK CARAMEL, GRAPE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-23 | — | — | US | disclosed |
| US-4044164-A | BERRY, CEREAL, NUT, BROCCOLI, ONION, CITRUS, JASMIN, MILK CARAMEL, GRAPE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-23 | — | — | US | disclosed |
| US-3985907-A | Novel 3-furyl beta oxoalkyl sulfides, processes for producing same and methods for using same for altering the organoleptic properties of foodstuffs | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-10-12 | — | — | US | disclosed |