SCHEMBL398945

SCHEMBL398945

C=C(C#N)C(N)=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
SCHEMBL3788534 0.97
SCHEMBL3666674 0.97
Trimethylammonium SCHEMBL11761648 0.89 ALDH1A1 (0.40)
Biphenyl SCHEMBL16213023 0.80 MCL1 (0.46)
SCHEMBL1347696 0.73 TDP1 (0.44)
SCHEMBL14845431 0.73
SCHEMBL11569766 0.71
SCHEMBL5430674 0.71
SCHEMBL126663 0.71
Water SCHEMBL21525772 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570655-B2 Cysteine covalent modifiers of AKT1 and uses thereof TERREMOTO BIOSCIENCES, INC. (US) 2026-03-10 US claimed
WO-2025081045-A9 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-12-26 WO claimed
WO-2025217336-A1 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-10-16 WO claimed
WO-2025217330-A1 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-10-16 WO claimed
US-20250289819-A1 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-09-18 US claimed
WO-2025090658-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-05-01 WO claimed
WO-2025081045-A1 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-04-17 WO claimed
CN-119708012-A Targeting regulatory molecule and method for intracellular target protein conformation 中国科学院大连化学物理研究所 2025-03-28 CN claimed
US-20250093362-A1 HIGH-THROUGHPUT ENGINEERING OF MOLECULAR GLUES FRONTIER MEDICINES CORPORATION 2025-03-20 US claimed
US-20240294522-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2024-09-05 US claimed
US-20080103191-A1 ENTACAPONE-DERIVATIVES SCHWARZ PHARMA AG (DE) 2008-05-01 US claimed
EP-0824316-A4 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 2001-01-17 EP claimed
US-5892096-A CYANOACRYLIC DYES FOR PHOTORESISTS BREWER SCIENCE, INC. (US) 1999-04-06 US claimed
US-5767152-A USING A CYANOCARBOXYLIC ACID S.N. BIOTECH, INC. 1998-06-16 US claimed
EP-0830106-A1 TISSUE LOADING SYSTEM FOR IMPLANTABLE BIOLOGICAL DEVICES BAXTER INTERNATIONAL INC. (US) 1998-03-25 EP claimed
EP-0824316-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH Nielsen, Thor, B. (US) 1998-02-25 EP claimed
WO-1996039100-A1 TISSUE LOADING SYSTEM FOR IMPLANTABLE BIOLOGICAL DEVICES BAXTER INTERNATIONAL INC. (US) 1996-12-12 WO claimed
WO-1996034526-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 1996-11-07 WO claimed
EP-0343807-A2 Absorptive adhesive dressing with controlled hydration SMITH &amp; NEPHEW UNITED, INC. (US) 1989-11-29 EP claimed
US-4431790-A REACTION PRODUCT OF POLYOXYALKYLENEPOLYAMINE, HYDROXY-ACRYLIC DERIVATIVE, EPOXIDE TEXACO INC. (US) 1984-02-14 US claimed