SCHEMBL429835

SCHEMBL429835

Cc1cc(C)c(CN=C=O)cc1CN=C=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
TRPA1 O75762 1/20 0.32
CYP3A4 P08684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL459569 0.93 NPSR1 (0.37) PGK1PGK2TRPA1CYP3A4NPSR1
SCHEMBL8723814 0.88 PGK1 (0.33) PGK1PGK2NPSR1
SCHEMBL31066773 0.86 PGK1 (0.31) PGK1PGK2
SCHEMBL21623883 0.83 TRPA1 (0.33) TRPA1CYP3A4NPSR1GABRA1GABRB2
SCHEMBL272933 0.80 PGK1 (0.36) PGK1PGK2NPSR1
SCHEMBL14916725 0.79 TAAR1 (0.47) TRPA1CYP3A4
SCHEMBL28725527 0.79 PYCR1 (0.46)
SCHEMBL11159589 0.77 MIF (0.34) TRPA1CYP3A4
SCHEMBL29387408 0.77 CYP3A4 (0.35) TRPA1CYP3A4
SCHEMBL460468 0.77 CYP3A4 (0.35) TRPA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137780-B Preparation of polyamideimides 亨斯迈先进材料许可(瑞士)有限公司 2021-07-30 CN claimed
US-8196627-B2 Tire having a coated surface PIRELLI TYRE S.P.A. (IT) 2012-06-12 US claimed
US-20090250150-A1 Tire having a coated surface PIRELLI TYRE S.P.A. (IT) 2009-10-08 US claimed
US-6652915-B1 Thixotropic agents BASF COATINGS AG (DE) 2003-11-25 US claimed
US-4408032-A OVERCOATINGS FOR MAGNET WIRES PHELPS DODGE INDUSTRIES, INC. (US) 1983-10-04 US claimed
US-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US claimed
EP-3994219-B1 A COATING COMPOSITION, ITS PREPARATION METHOD AND USE THEREOF BASF COATINGS GMBH (DE) 2025-10-08 EP disclosed
WO-2025105349-A1 COATING COMPOSITION FOR ROTARY ATOMIZATION-TYPE ELECTROSTATIC COATING DEVICE, COATING FILM, AND VEHICLE 日本ペイント・オートモーティブコーティングス株式会社 2025-05-22 WO disclosed
US-12269915-B2 Non aqueous crosslinkable composition ALLNEX NETHERLANDS BV (NL) 2025-04-08 US disclosed
CN-119212803-A Method for producing multilayer coating film 日涂工业涂料有限公司 2024-12-27 CN disclosed
CN-114080429-B Coating composition, method for the production and use thereof 巴斯夫涂料有限公司 2024-12-03 CN disclosed
CN-119031896-A Easily recyclable absorbent article, and method for producing recycled raw material, fiber and fiber product 旭化成株式会社 2024-11-26 CN disclosed
CN-116355490-B Chromium-free anticorrosive coating composition and articles made therefrom 广东华润涂料有限公司 2024-11-22 CN disclosed
US-4218550-A Coating compositions GENERAL ELECTRIC COMPANY (US) 1980-08-19 US disclosed
US-4180612-A Hydantoin-polyester coating compositions GENERAL ELECTRIC COMPANY (US) 1979-12-25 US disclosed
EP-0000927-A1 Process for stabilising thermoplastic polyester urethanes Mobay Chemical Corporation (US) 1979-03-07 EP disclosed
US-4123419-A A 2-OXAZOLIDONE STABILIZER MOBAY CHEMICAL CORPORATION (US) 1978-10-31 US disclosed
US-4051165-A Preparation of biuret polyisocyanates BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-3969262-A Process for the production of synthetic plastics comprising urethane groups and biuret groups BAYER AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed
US-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US disclosed