SCHEMBL44757

SCHEMBL44757

NC(=O)c1c[nH]nn1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30522334 1.00
Hydrochloric Acid SCHEMBL1420896 0.98
Trifluoroacetic Acid SCHEMBL5476669 0.87 HRH4 (0.36)
SCHEMBL20488159 0.85 GDA (0.34)
SCHEMBL20488575 0.82 NPC1 (0.37)
SCHEMBL3896577 0.80 CES2 (0.31)
SCHEMBL52479 0.78
Hydrogen Sulfide SCHEMBL11219494 0.78
SCHEMBL1059345 0.76
SCHEMBL30149273 0.76 KDM4E (0.36)

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

Appears in 3502 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4531856-B1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION ALK ABELLO AS (DK) 2026-04-22 EP claimed
EP-4637347-A1 OIL FLOWABLE APYRASE INHIBITOR FORMULATION Texas Crop Science, Inc. (US) 2025-10-29 EP claimed
EP-4608136-A1 WATER DISPERSIBLE GRANULE ACYLHYDRAZONE APYRASE INHIBITOR FORMULATION Texas Crop Science, Inc. (US) 2025-09-03 EP claimed
EP-4604724-A1 SUSPENSION CONCENTRATE ACYLHYDRAZONE APYRASE INHIBITOR FORMULATION Texas Crop Science, Inc. (US) 2025-08-27 EP claimed
CN-120166922-A Apyrase inhibitors 德州作物科学股份有限公司 2025-06-17 CN claimed
EP-3697764-B1 GLS-1 INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIV TEXAS (US) 2025-06-11 EP claimed
US-20250129031-A1 1,2,3-TRIAZOLE CARBONYL SULFONYLAMIDE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD (IN) 2025-04-24 US claimed
EP-4531856-A1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION ALK-Abelló A/S (DK) 2025-04-09 EP claimed
US-20250041429-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF UBIX THERAPEUTICS, INC. (KR) 2025-02-06 US claimed
EP-4469442-A1 1,2,3-TRIAZOLE CARBONYL SULFONYLAMIDE COMPOUNDS AND USE THEREOF PI Industries Ltd. (IN) 2024-12-04 EP claimed
WO-1997010714-A1 HERBICIDAL MIXTURES HAVING A SYNERGISTIC EFFECT BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO claimed
US-5496793-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-03-05 US claimed
EP-0654468-A1 Substituded carbamoyl-triazoles, their use as herbicides, and triazole-intermediates BAYER AG (DE) 1995-05-24 EP claimed
EP-0433804-A1 Substituted carbamoyltriazoles BAYER AG (DE) 1991-06-26 EP claimed
EP-0422369-A2 Substituted carbamoyltriazoles BAYER AG (DE) 1991-04-17 EP claimed
EP-0391411-A2 3'-Substituted methyl nucleosides as antiviral agents Bristol-Myers Squibb Company (US) 1990-10-10 EP claimed
EP-0192998-B1 THIAZOLYL AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING NON-DESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1990-01-24 EP claimed
US-4504475-A ANTILEUKEMIA WARNER LAMBERT COMPANY (US) 1985-03-12 US claimed
EP-0127028-A2 3-Haloethyl-4-oxopyrazolo (5,1-d)-1,2,3,5-tetrazine-8-carboxamide and process for their production and use WARNER-LAMBERT COMPANY (US) 1984-12-05 EP claimed
US-4233059-A HERBICIDES, INSECTICIDES, MITICIDES, FUNGICIDES, NEMATOCIDES SCHERING AKTIENGESELLSCHAFT (DE) 1980-11-11 US claimed