SCHEMBL120889

SCHEMBL120889

[CH2]C(C)(C)C=O

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
SCHEMBL5451309 0.76
SCHEMBL1590931 0.75
SCHEMBL23388285 0.75
Ethylene SCHEMBL4453706 0.73
SCHEMBL3261673 0.70 TDP1 (0.38)
SCHEMBL2619 0.70
SCHEMBL5786211 0.68
SCHEMBL2154678 0.67 TDP1 (0.35)
SCHEMBL17707871 0.67
SCHEMBL4883615 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

Claimed or disclosed in 292 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP claimed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO claimed
EP-1603906-A2 PROCESS FOR SYNTHESISING USEFUL INTERMEDIATES FOR THE PREPARATION OF ALPHA V BETA 3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-12-14 EP claimed
WO-2004078109-A2 PROCESS FOR SYNTHESISING USEFUL INTERMEDIATES FOR THE PREPARATION OF ανβ3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-09-16 WO claimed
EP-1054859-A4 PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES LILLY CO ELI (US) 2003-03-05 EP claimed
EP-1054859-A1 PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES ELI LILLY AND COMPANY (US) 2000-11-29 EP claimed
WO-1999041230-A1 PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES ELI LILLY AND COMPANY (US) 1999-08-19 WO claimed
WO-2024091573-A1 CLOSED-LOOP OPTIMIZATION OF GENERAL REACTION CONDITIONS FOR HETEROARYL SUZUKI-MIYAURA COUPLING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-05-02 WO disclosed
WO-2024073125-A2 DEUTERATED HINOKITIOL DERIVATIVES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-04-04 WO disclosed
EP-4221700-A1 AMPK ACTIVATORS AND METHODS OF USE THEREOF Bioverativ Therapeutics Inc. (US) 2023-08-09 EP disclosed
EP-4208497-A1 COATING COMPOSITION AND ARTICLE INCLUDING COATING FORMED BY THE COATING COMPOSITION Guangdong Huarun Paints Co. Ltd. (CN) 2023-07-12 EP disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO disclosed
EP-4200369-A1 COATING COMPOSITION AND COATED ARTICLE INCLUDING COATING FORMED BY THE COATING COMPOSITION Guangdong Huarun Paints Co. Ltd. (CN) 2023-06-28 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO disclosed
CN-1230175-A Cytostatic hydroximic acid derivatives BRITISH BIOTECH PHARM (GB) 1999-09-29 CN disclosed
WO-1999041230-A1 PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES ELI LILLY AND COMPANY (US) 1999-08-19 WO disclosed
US-5589356-A CYCLIZATION VANDERBILT UNIVERSITY (US) 1996-12-31 US disclosed
WO-1995000846-A1 DOMAIN LIGATION STRATEGY TO ENGINEER PROTEINS WITH UNUSUAL ARCHITECTURES TAM JAMES P (US) 1995-01-05 WO disclosed
US-4501608-A STABILIZING DINITROANILINE HERBICIDES BY ADDING A BISULFITE COMPOUND AND AN ALDEHYDE OR KETONE ELI LILLY AND COMPANY (US) 1985-02-26 US disclosed
US-4094977-A CONTROLLING REPRODUCTIVE CYCLE HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-13 US disclosed