SCHEMBL2580189

SCHEMBL2580189

C=C(CC#N)C(=O)OC

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
SCHEMBL9873048 0.79
SCHEMBL2580163 0.78 ALDH1A1 (0.59)
SCHEMBL9440656 0.78 ALDH1A1 (0.39)
SCHEMBL11781459 0.78 TSHR (0.36)
SCHEMBL14613512 0.76
SCHEMBL29229760 0.76 ALDH1A1 (0.41)
SCHEMBL28307387 0.75 MCL1 (0.38)
SCHEMBL2576522 0.74 TSHR (0.55)
SCHEMBL22082472 0.74 ALDH1A1 (0.35)
SCHEMBL29178572 0.74 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279900-A1 SOLID SUPPORT COMPRISING A FUNCTIONALIZED ELECTRICITY CONDUCTOR OR SEMICONDUCTOR SURFACE, METHOD FOR PREPARING SAME AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE 2010-11-04 US claimed
US-20050272143-A1 Solid support comprising a functionalized electricity conductor or semiconductor surface, method for preparing same and uses thereof COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-12-08 US claimed
EP-4288426-B1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-04 EP disclosed
WO-2025226892-A1 SPIROCYCLE-CONTAINING DIAMINOMETHYLENE PYRIMIDINE-2,4,6-TRIONE AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2025-10-30 WO disclosed
WO-2025226510-A1 LPAR1 INHIBITORS ABBVIE INC. (US) 2025-10-30 WO disclosed
EP-4640274-A1 LPAR1 INHIBITORS AbbVie Inc. (US) 2025-10-29 EP disclosed
US-20240368181-A1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-11-07 US disclosed
EP-4288426-A1 QUINOXALINE DERIVATIVES AND USES THEREOF Black Diamond Therapeutics, Inc. (US) 2023-12-13 EP disclosed
CN-117203202-A Quinoxaline derivative and use thereof 黑钻治疗公司 2023-12-08 CN disclosed
WO-2022170122-A1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed
CN-114729076-A Non-thiol nitrogen-based hydrophobic polymer brush materials and their use for substrate surface modification 默克专利股份有限公司 2022-07-08 CN disclosed
US-6139819-A COMPRISING LIPID, PROTEIN, POLYMER AND/OR SURFACTANT, AND A GAS, IN COMBINATION WITH A TARGETING LIGAND; TARGETING LIGAND TARGETS COAGULA, INCLUDING EMBOLI AND/OR THROMBI, PARTICULARLY IN PATIENTS SUFFERING FROM ARRHYTHMIC DISORDER IMARX PHARMACEUTICAL CORP. (US) 2000-10-31 US disclosed
WO-2000045856-A2 NOVEL METHODS OF IMAGING AND TREATMENT WITH TARGETED COMPOSITIONS IMARX PHARMACEUTICAL CORP. (US) 2000-08-10 WO disclosed
WO-2000043050-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2000-07-27 WO disclosed
EP-0831932-A4 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP (US) 2000-01-12 EP disclosed
EP-0959908-A1 NOVEL TARGETED CONTRAST AGENTS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1999-12-01 EP disclosed
WO-1999013919-A1 NOVEL TARGETED CONTRAST AGENTS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1999-03-25 WO disclosed
EP-0831932-A1 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1998-04-01 EP disclosed
WO-1996040285-A1 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1996-12-19 WO disclosed
US-4032597-A GRAFT POLYMER OF AN ACRYLONITRILE AND AN ACRYLIC ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-28 US disclosed