⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11316496 | 0.98 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6760437 | 0.75 | — | — | |
| SCHEMBL15198091 | 0.75 | POLB (0.41) | — | |
| SCHEMBL5654731 | 0.74 | RET (0.30) | — | |
| SCHEMBL5498897 | 0.74 | HTT (0.39) | — | |
| SCHEMBL5201045 | 0.71 | MAOB (0.34) | — | |
| Hydrochloric Acid SCHEMBL5277328 | 0.70 | CYP1A2 (0.35) | — | |
| SCHEMBL24471574 | 0.69 | NPSR1 (0.41) | — | |
| SCHEMBL33843 | 0.69 | — | — | |
| SCHEMBL5202612 | 0.69 | RAB9A (0.50) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10351533-B2 | Process for the preparation of carbamoylamino pyrazole derivatives | SANDOZ AG (CH) | 2019-07-16 | — | — | US | disclosed |
| US-10308666-B2 | 7-aminocephem derivative compounds | MERCK SHARP & DOHME CORP. (US) | 2019-06-04 | — | — | US | disclosed |
| US-20170362183-A1 | PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2017-12-21 | — | — | US | disclosed |
| WO-2016095860-A1 | PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| US-20160176897-A1 | 7-AMINOCEPHEM DERIVATIVE COMPOUNDS | MERCK SHARP & DOHME CORP. | 2016-06-23 | — | — | US | disclosed |
| EP-1556389-B9 | CEPHEM COMPOUNDS | ASTELLAS PHARMA INC (JP) | 2015-09-09 | — | — | EP | disclosed |
| EP-1556389-B3 | CEPHEM COMPOUNDS | ASTELLAS PHARMA INC (JP) | 2015-04-01 | — | — | EP | disclosed |
| EP-1663245-B1 | CEPHEM COMPOUNDS | ASTELLAS PHARMA INC (JP) | 2010-04-07 | — | — | EP | disclosed |
| EP-1408025-B1 | 3,3-DIALKOXY-2-HYDROXYIMINOPROPIONITRILES, PROCESS FOR PREPARATION THEREOF AND PROCESS OF PREPARING 5-AMINO -4-NITROSOPYRAZOLES OR SALTS THEREOF BY THE USE OF THE SAME | UBE INDUSTRIES (JP) | 2007-11-21 | — | — | EP | disclosed |
| US-7256304-B2 | Process for producing 3-unsubstituted 5-amino-4-nitrosopyrazole compound, and 2-hydroxyimino-3-oxopropionitrile, 3-hydrazono-2-hydroxyiminopropionitrile compound, and processes for producing these | UBE INDUSTRIES, LTD. (JP) | 2007-08-14 | — | — | US | disclosed |
| US-20070033742-A1 | Pyrazole azomethines and colorants containing these compounds | PROCTER & GAMBLE COMPANY, THE | 2007-02-15 | — | — | US | disclosed |
| US-20070037786-A1 | Cephem compounds | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2007-02-15 | — | — | US | disclosed |
| US-7129232-B2 | For therapy of of infectious diseases | ASTELLAS PHARMA INC. (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20050096472-A1 | Process for producing 3-unsubstituted 5-amino-4-nitrosopyrazole compound, and 2-hydroxyimino-3-oxopropionitrile, 3-hydrazono-2-hydroxyiminopropionitrile compound, and processes for producing these | UBE INDUSTRIES, LTD. (JP) | 2005-05-05 | — | — | US | disclosed |
| US-20050096306-A1 | Cephem compounds | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2005-05-05 | — | — | US | disclosed |
| EP-1475369-A1 | PROCESS FOR PRODUCING 3-UNSUBSTITUTED 5-AMINO-4-NITROSOPYRAZOLE COMPOUND, AND 2-HYDROXYIMINO-3-OXOPROPIONITRILE, 3-HYDRAZONO-2-HYDROXYIMINOPROPIONITRILE COMPOUND, AND PROCESSES FOR PRODUCING THESE | Ube Industries, Ltd. (JP) | 2004-11-10 | — | — | EP | disclosed |
| US-20040132994-A1 | Cephem compounds | FUJISAWA PHARMACEUTICAL CO., LTD (JP) | 2004-07-08 | — | — | US | disclosed |
| US-20040116732-A1 | 3,3-Dialkoxy-2-hydroxyiminopropionitriles, process for preparation thereof and process of preparing 5-amino-4-nitrosopyrazoles or salts thereof by the use of the same | UBE INDUSTRIES, LTD. (JP) | 2004-06-17 | — | — | US | disclosed |
| EP-1408025-A1 | 3,3-DIALKOXY-2-HYDROXYIMINOPROPIONITRILES, PROCESS FOR PREPARATION THEREOF AND PROCESS OF PREPARING 5-AMINO -4-NITROSOPYRAZOLES OR SALTS THEREOF BY THE USE OF THE SAME | Ube Industries, Ltd. (JP) | 2004-04-14 | — | — | EP | disclosed |
| US-5534267-A | Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis | WELLA AKTIENGESELLSCHAFT (DE) | 1996-07-09 | — | — | US | disclosed |