SCHEMBL127067

SCHEMBL127067

CC1=CC(C)(N=C=O)C(C)=CC1(C)N=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
SCHEMBL657224 0.70
SCHEMBL9810775 0.65
SCHEMBL2567856 0.65 TSHR (0.30)
SCHEMBL28885369 0.63
SCHEMBL8396068 0.59
SCHEMBL420892 0.58
SCHEMBL9939311 0.58 TSHR (0.33)
SCHEMBL10664284 0.56
SCHEMBL8927140 0.56 TSHR (0.32)
Ammonia Solution, Strong SCHEMBL7721602 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279972-A Two-component polyurethane compositions, methods of making, and methods of using the same 阿科玛法国 2023-12-22 CN claimed
EP-4263209-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ARKEMA FRANCE (FR) 2023-10-25 EP claimed
WO-2022133025-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2022-06-23 WO claimed
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-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
US-20240052090-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ARKEMA FRANCE (FR) 2024-02-15 US disclosed
CN-117279972-A Two-component polyurethane compositions, methods of making, and methods of using the same 阿科玛法国 2023-12-22 CN disclosed
EP-4063449-B1 THERMOPLASTIC VULCANIZATES COMPRISING ACRYLATE RUBBER AND THERMOPLASTIC POLYURETHANE PARKER HANNIFIN CORP (US) 2023-12-13 EP disclosed
EP-3589671-B1 MULTI-COMPONENT ADHESIVE SYSTEM ARKEMA FRANCE (FR) 2023-12-13 EP disclosed
EP-4063448-B1 THERMOPLASTIC VULCANIZATES MADE OF THERMOPLASTIC POLYURETHANE AND CARBOXYLATED NITRILE BUTADIENE PARKER HANNIFIN CORP (US) 2023-12-06 EP disclosed
EP-4263209-A1 A TWO-COMPONENT POLYURETHANE COMPOSITION, PROCESS FOR PREPARING THE SAME AND A METHOD OF USE THEREOF ARKEMA FRANCE (FR) 2023-10-25 EP disclosed
US-20220306860-A1 THERMOPLASTIC VULCANIZATES COMPRISING CARBOXYLATED NITRILE RUBBER AND THERMOPLASTIC POLYURETHANE PARKER-HANNIFIN CORPORATION 2022-09-29 US disclosed
US-RE30721-E ADDING A 2-OXAZOLIDONE; NONHYDROLYZING; DISCOLORATION INHIBITION MOBAY CHEMICAL CORPORATION (US) 1981-08-25 US disclosed
US-4207212-A Catalyst for carbonylation of aromatic nitrocompounds BALABANOV GEORGY P 1980-06-10 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