SCHEMBL159676

SCHEMBL159676

CC(C)c1ccc(N=C=O)c(C(C)C)c1N=C=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL112208 0.87 CYP3A4 (0.38) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL8751827 0.85 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL28199248 0.84 GABRA1 (0.35) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL112207 0.82 CYP3A4 (0.46) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL10585418 0.82 CYP3A4 (0.50) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL21810673 0.81 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL7616902 0.81 GABRA1 (0.38) GABRA1GABRB2TDP1
SCHEMBL20609875 0.81 GABRA1 (0.34) CYP3A4GABRA1GABRB2
SCHEMBL752311 0.79 GABRA1 (0.41) CYP3A4GABRA1GABRB2
SCHEMBL28981963 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250291-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-08-10 US claimed
US-20230057607-A1 ASPHALT COMPOSITION COMPRISING THERMOSETTING REACTIVE COMPOUND BASF SE (DE) 2023-02-23 US claimed
CN-115551950-A Process for reducing hydrogen sulfide emissions during the production of asphalt compositions 巴斯夫欧洲公司 2022-12-30 CN claimed
CN-114929769-A Bituminous composition comprising a thermosetting reactive compound 巴斯夫欧洲公司 2022-08-19 CN claimed
CN-114222771-A Polyurethane gels for medical padding applications 巴斯夫欧洲公司 2022-03-22 CN claimed
WO-2021053012-A1 A POLYURETHANE GEL FOR MEDICAL PADDING APPLICATION BASF SE (DE) 2021-03-25 WO claimed
EP-0441493-B1 Discoloration-resistant spandex DU PONT (US) 1995-06-28 EP claimed
EP-0149765-A2 Coating compositions containing a ketimine AMERICAN CYANAMID COMPANY (US) 1985-07-31 EP claimed
US-4425395-A Base fabrics for polyurethane-coated fabrics, polyurethane-coated fabrics and processes for their production FUJIKURA RUBBER WORKS, LTD. (JP) 1984-01-10 US claimed
US-20240217165-A1 PROCESS OF MODIFYING SURFACE OF A COMPOSITE MATERIAL BASE UNIT BASF SE (DE) 2024-07-04 US disclosed
WO-2024137400-A1 HYBRID COIL SPRING ISOLATOR BASF SE (DE) 2024-06-27 WO disclosed
WO-2024137411-A1 POLYURETHANE FOAM WITH EO/PO COPOLYMER BASF SE (DE) 2024-06-27 WO disclosed
US-20240191594-A1 Cement Top Jobs In Wellbore Annuli Using Expandable Compositions CHEVRON U.S.A. INC. 2024-06-13 US disclosed
EP-4363504-A1 USE OF ASPHALT COMPOSITION FOR WEATHERPROOFING APPLICATION BASF SE (DE) 2024-05-08 EP disclosed
US-4425395-A Base fabrics for polyurethane-coated fabrics, polyurethane-coated fabrics and processes for their production FUJIKURA RUBBER WORKS, LTD. (JP) 1984-01-10 US disclosed
US-4383068-A Thixotropic coating agents based on urea adduct of polyamine and monoisocyanate AUGUST MERCKENS NACHFOLGER KOMMANDITGESELLSCHAFT (DE) 1983-05-10 US disclosed
US-4247427-A Adhesion promoted block copolyester composition with multi-functional carboxylic compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-27 US disclosed
US-4156702-A Adhesion promoted block copolyester composition with multi-functional carboxylic compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-05-29 US disclosed
US-4071503-A THERMOPLASTIC POLYESTERS CELANESE CORPORATION (US) 1978-01-31 US disclosed
US-4048128-A ALKALINE EARTH OXIDE, POLYCARBODIIMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-13 US disclosed