SCHEMBL44995

SCHEMBL44995

NC(=O)c1ccncc1

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
SCHEMBL8582840 1.00 NAPRT (0.59) —
SCHEMBL27649799 0.97 — —
Water SCHEMBL31094001 0.97 CYP17A1 (0.57) —
Arsenic SCHEMBL27830690 0.97 CYP17A1 (0.57) —
Hydrochloric Acid SCHEMBL5710616 0.97 CYP17A1 (0.57) —
Hydrochloric Acid SCHEMBL1666770 0.97 CYP17A1 (0.57) —
Hydrochloric Acid SCHEMBL28802361 0.97 CYP17A1 (0.57) —
SCHEMBL28382890 0.97 CYP17A1 (0.57) —
Formaldehyde SCHEMBL29045130 0.95 CYP17A1 (0.55) —
Carbamic Acid SCHEMBL29194228 0.95 NAPRT (0.61) —

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 8500 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106917-A1 EDIBLE TRANSMUCOSAL DRUG DELIVERY METHOD USING AN INTERMEDIATE CAPSULE AS A TEMPORARY VESSEL BioPhysics Pharma, Inc. (US) 2026-05-21 — — WO claimed
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 — — EP claimed
US-12605345-B2 Transdermal drug delivery system BioPhysics Pharma, Inc. (US) 2026-04-21 — — US claimed
US-20260069522-A1 SKIN DEPIGMENTATION COMPOSITION AND USE THEREOF KASRAEE BEHROOZ (CH) 2026-03-12 — — US claimed
US-12565494-B2 Inhibitors of human respiratory syncytial virus and metapneumovirus MERCK SHARP & DOHME LLC 2026-03-03 — — US claimed
CN-121575215-A Amino acid-amide-saccharide composite leaching agent and application thereof 华碳科技(扬州)有限公司 2026-02-27 — — CN claimed
EP-4698227-A1 SUPRAMOLECULAR ASSEMBLIES, COMPOSITIONS COMPRISING THE SAME AND METHODS FOR PRODUCING THE SAME ELC Management LLC (US) 2026-02-25 — — EP claimed
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 — — EP claimed
EP-3606525-B1 COMPOSITIONS FOR TREATING AGING-ASSOCIATED IMPAIRMENTS USING CCR3-INHIBITORS ALKAHEST INC (US) 2025-12-10 — — EP claimed
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-09 — — US claimed
EP-0021176-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1981-01-07 — — EP claimed
US-4217450-A ANTIBIOTICS, BACTERICIDES AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-12 — — US claimed
US-4150223-A ANTIBIOTICS MERCK & CO., INC. (US) 1979-04-17 — — US claimed
US-4148997-A 7-[Sulfomethyl)phenyl]acetamidocephalosporin derivatives YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1979-04-10 — — US claimed
EP-0000393-A1 Beta-lactam compounds, process for their preparation and their use BAYER AG (DE) 1979-01-24 — — EP claimed
US-4132789-A 7-[2-(2-Imino-4-thiazolin-4-yl)-2-sulfoacetamido]cephalosporins and antibacterial compositions containing them TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-01-02 — — US claimed
US-4120958-A ANALGESICS, ANTIPYRETICS, ANTIRHEUMATIC INTERX RESEARCH CORPORATION (US) 1978-10-17 — — US claimed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 — — US claimed
US-4025622-A ANTIBACTERIAL Ogura, Haruo (JA) 1977-05-24 — — US claimed
US-3957804-A NICKEL AND IRON OXIDE HYDRATION CATALYSTS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-05-18 — — US claimed
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