SCHEMBL216204

SCHEMBL216204

CC(C)(CCN=C=O)CC(C)(C)CN=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
SCHEMBL8003212 0.89
SCHEMBL12103855 0.87
SCHEMBL12981514 0.83
SCHEMBL6434568 0.82
SCHEMBL28211983 0.81 LPAR1 (0.34)
SCHEMBL27777993 0.78
SCHEMBL197341 0.78
SCHEMBL6298717 0.78
SCHEMBL28653046 0.77 FFAR1 (0.31)
SCHEMBL3904826 0.77 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717223-B2 Method for the purification of isocyanates BASF SE (DE) 2023-01-04 EP claimed
CN-106029729-B The coating composition of two aspartates comprising diisocyanate chain extension 涂层国外知识产权有限公司 2019-11-08 CN claimed
CN-106029728-B The coating composition of two aspartates comprising diisocyanate chain extension 涂层国外知识产权有限公司 2019-08-06 CN claimed
US-9809675-B2 Polymers made from telechelic N-alkylated polyamides LUBRIZOL ADVANCED MATERIALS, INC. (US) 2017-11-07 US claimed
EP-1717223-B1 Method for the purification of isocyanates BASF SE (DE) 2016-07-20 EP claimed
WO-2016014376-A1 ALIPHATIC THERMOPLASTIC POLYURETHANES MADE FROM TELECHELIC N-ALKYLATED POLYAMIDES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2016-01-28 WO claimed
US-20150376325-A1 POLYMERS MADE FROM TELECHELIC N-ALKYLATED POLYAMIDES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2015-12-31 US claimed
EP-2956492-A1 POLYMERS MADE FROM TELECHELIC N-ALKYLATED POLYAMIDES Lubrizol Advanced Materials, Inc. (US) 2015-12-23 EP claimed
CN-104995228-A POLYMERS MADE FROM TELECHELIC N-ALKYLATED POLYAMIDES LUBRIZOL ADVANCED MAT INC 2015-10-21 CN claimed
WO-2014126743-A1 POLYMERS MADE FROM TELECHELIC N-ALKYLATED POLYAMIDES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2014-08-21 WO claimed
EP-1220032-A2 Photographic element with yellow dye-forming coupler and stabilizing compound EASTMAN KODAK COMPANY (US) 2002-07-03 EP claimed
US-6413707-B1 USING A DIISOCYANATE COMPUND EASTMAN KODAK COMPANY 2002-07-02 US claimed
US-6389602-B1 POLYETHERURETHANE COPOLYMER LRC PRODUCTS LIMITED (GB) 2002-05-21 US claimed
EP-0367445-B1 Extruder polymerization of polyurethanes MINNESOTA MINING & MFG (US) 1995-12-13 EP claimed
EP-0318878-B1 THERMALLY CURING ADHESIVES BASED ON POLYBUTADIENE CONTAINING HYDROXYL GROUPS Henkel Kommanditgesellschaft auf Aktien (DE) 1993-04-28 EP claimed
US-5149742-A HEAT CURABLE ADHESIVES BASED ON POLYMERS HAVING A POLYBUTADIENE CHAIN BACKBONE AND CONTAINING HYDROXYL GROUPS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-09-22 US claimed
US-4948859-A BULK POLYMERIZATION OF DIISOCYANATE, OLIGOMERIC DIOL AND CHAIN EXTENDER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-08-14 US claimed
EP-0367445-A2 Extruder polymerization of polyurethanes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-05-09 EP claimed
US-4909597-A Flexible optical waveguide containing a thermoplastic aliphatic segmented polyurethane core THE DOW CHEMICAL COMPANY (US) 1990-03-20 US claimed
EP-0318878-A2 Thermally curing adhesives based on polybutadiene containing hydroxyl groups Henkel Kommanditgesellschaft auf Aktien (DE) 1989-06-07 EP claimed