SCHEMBL42609

SCHEMBL42609

c1cnc2[nH]cnc2n1

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
Bromide SCHEMBL3189418 0.97 ALDH1A1 (0.40)
Hydrochloric Acid SCHEMBL30870528 0.97 ALDH1A1 (0.40)
Cyanide SCHEMBL8970874 0.93 ALDH1A1 (0.38)
SCHEMBL28864016 0.82 KDM4E (0.39)
Piperazine SCHEMBL28957575 0.79 PBK (0.33)
Cyclopropanecarboxylic Acid Amide SCHEMBL28704511 0.76 AKT2 (0.47)
Citric Acid SCHEMBL29065730 0.74 ALDH1A1 (0.46)
SCHEMBL11829105 0.71 ALDH1A1 (0.62)
SCHEMBL17265813 0.69 ALDH1A1 (0.60)
SCHEMBL6541956 0.67

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 7900 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121394778-B Diaphragm and battery 珠海冠宇电池股份有限公司 2026-05-12 CN claimed
EP-4724075-A2 SYSTEMS AND METHODS FOR DETECTION AND QUANTIFICATION OF DOUBLE-STRANDED RNA Promega Corporation (US) 2026-04-15 EP claimed
US-20260076088-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2026-03-12 US claimed
CN-121584019-A Solid electrolyte, preparation method and lithium battery 惠州马拉松固态新能源电池科技有限公司 2026-02-27 CN claimed
US-12559671-B2 Light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2026-02-24 US claimed
US-20260035389-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-02-05 US claimed
US-20260040814-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2026-02-05 US claimed
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 US claimed
US-20260020493-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2026-01-15 US claimed
US-20260007067-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2026-01-01 US claimed
EP-0914318-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1999-05-12 EP claimed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP claimed
WO-1997043267-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1997-11-20 WO claimed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO claimed
EP-0534323-B1 Process for the preparation of high chloride tabular grain emulsions (II) EASTMAN KODAK CO (US) 1997-05-14 EP claimed
EP-0450566-B1 Substituted azoles, method for their preparation, these containing compositions and their use HOECHST AG (DE) 1995-07-05 EP claimed
US-5389509-A Surface treatment of grains with an organonitrogen compound EASTMAN KODAK COMPANY (US) 1995-02-14 US claimed
US-5350751-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-27 US claimed
EP-0534323-A1 Process for the preparation of high chloride tabular grain emulsions (II) EASTMAN KODAK COMPANY (US) 1993-03-31 EP claimed
US-5178997-A A fused N-heterocyclic compound as a grain growth modifier; materials handling EASTMAN KODAK COMPANY (US) 1993-01-12 US claimed