SCHEMBL4146029

SCHEMBL4146029

CC1(N=C=O)CCC=C(N=C=O)C1

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
SCHEMBL10817248 0.72
SCHEMBL471684 0.69
SCHEMBL28052423 0.69
SCHEMBL8927140 0.65 TSHR (0.32)
SCHEMBL10664284 0.65
SCHEMBL7176093 0.63
SCHEMBL17353416 0.61
SCHEMBL10928090 0.61
SCHEMBL28173170 0.61
SCHEMBL8041794 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339729-A1 METHOD FOR PREPARING MIXED SILANE-TERMINATED POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2020-10-29 US claimed
US-6451395-B1 PIPES FOR TRANSPORTING (PETRO)CHEMICALS, FUELS, METHANOL;LINES FOR FUEL OR HYDRAULIC FLUIDS IN AUTOMOBILES; POLYAMIDE, POLYESTER, POLYALKYLENE 2,6-NAPHTHALATE, DIISOCYANATE COMPOUND DEGUSSA AG (DE) 2002-09-17 US claimed
US-4442833-A Casting or splinting package CUTTER LABORATORIES, INC. (US) 1984-04-17 US claimed
CN-114026144-B Rigid polyurethane foam and method for producing same 韩国GAS公社 2023-05-16 CN disclosed
US-11639485-B2 Direct alkoxylation of bio-oil BATTELLE MEMORIAL INSTITUTE (US) 2023-05-02 US disclosed
CN-114026144-A Rigid polyurethane foam and process for producing the same 韩国GAS公社 2022-02-08 CN disclosed
CN-107057011-B Anti-aging and low-emission mattress and/or cushion 赢创运营有限公司 2021-07-02 CN disclosed
US-20210071106-A1 DIRECT ALKOXYLATION OF BIO-OIL BATTELLE MEMORIAL INSTITUTE 2021-03-11 US disclosed
US-10883067-B2 Direct alkoxylation of bio-oil BATTELLE MEMORIAL INSTITUTE (US) 2021-01-05 US disclosed
US-10851198-B2 Processes for producing filter cartridge assemblies and molded polyurethane elastomers COVESTRO LLC (US) 2020-12-01 US disclosed
CN-111868127-A Aqueous polyurethane microgel dispersions 恩盖普有限公司 2020-10-30 CN disclosed
US-4118376-A COATINGS, ADHESIVES, GROUTS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4108842-A Preparation of polyurethane ureas using as hardeners mixtures of water, amines, aldimines and ketimines BAYER AKTIENGESELLSCHAFT (DE) 1978-08-22 US disclosed
US-4105600-A NITROGEN CONTAINING CHEMICAL COMPOUNDS AND A PROCESS FOR MAKING POLYURETHANES WITH THE NEW COMPOUNDS AS A CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed
US-4096101-A CHAIN LENGHTENING; CROSS-LINKABLE FILLER PARTICLES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed
US-4058492-A Process for molding polyurethane foams BAYER AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-4051081-A ALKYLARYL SULFONIC ACID BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4024090-A Process for molding polyurethane foams BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3978125-A TERTIARY AMINE-OXYMETHYLENE AMIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3941726-A Polyguanidine foams BAYER AKTIENGESELLSCHAFT (DT) 1976-03-02 US disclosed