SCHEMBL3145515

SCHEMBL3145515

CCC(=O)OC(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
SCHEMBL7016617 0.81
SCHEMBL11318774 0.81
SCHEMBL128684 0.80
SCHEMBL31019825 0.80 LMNA (0.54)
SCHEMBL6300032 0.80 CYP2C19 (0.41)
SCHEMBL24805426 0.80 MEN1 (0.41)
SCHEMBL15186967 0.80 MEN1 (0.41)
SCHEMBL7285498 0.79
SCHEMBL3608777 0.78
Propane SCHEMBL28528148 0.78 LMNA (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148995-B1 6-SUBSTITUTED-3H-1,3-BENZOTHIAZOL-2-ONE COMPOUNDS AS TARP-GAMMA 8 DEPENDENT AMPA RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2020-09-23 EP claimed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP claimed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 US claimed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 US claimed
US-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 US claimed
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US claimed
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US claimed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US claimed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 US claimed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US claimed
WO-1997048395-A1 IONTOPHORETIC DELIVERY OF INTEGRIN INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1997-12-24 WO claimed
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO claimed
WO-1997033887-A1 SPIROCYCLE INTEGRIN INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1997-09-18 WO claimed
US-5668159-A ANTICOAGULANTS FOR CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-09-16 US claimed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO claimed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO claimed