SCHEMBL3263776

SCHEMBL3263776

[CH2]CN(C)C(=O)CC#N

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
SCHEMBL14417883 0.82 MCL1 (0.38)
SCHEMBL9653268 0.79
SCHEMBL14673211 0.76 MCL1 (0.37)
SCHEMBL1900516 0.76 MCL1 (0.37)
SCHEMBL30740904 0.76 MVD (0.40)
SCHEMBL333490 0.75
SCHEMBL30740895 0.72 CHRM1 (0.36)
SCHEMBL30154420 0.71 MCL1 (0.33)
SCHEMBL30740909 0.71 MCL1 (0.38)
SCHEMBL1406238 0.70

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2045290-B1 Improved polymer composition ROHM & HAAS (US) 2010-05-12 EP claimed
EP-2045290-A1 Improved polymer composition Rohm and Haas Company (US) 2009-04-08 EP claimed
EP-0810246-B1 Method of producing isocyanate-modified latex polymer ROHM & HAAS (US) 2004-07-28 EP claimed
US-6153690-A REACTING A DI- OR POLYISOCYANATE WITH AN ISOCYANATE-REACTIVE POLYMER TO PRODUCE THE ISOCYANATE-MODIFIED ACRYLIC POLYMER OF THE PRESENT INVENTION HAVING EXTENDED SHELF STABILITY AND SOLVENT RESISTANCE. ROHM AND HAAS COMPANY (US) 2000-11-28 US claimed
EP-0810246-A2 Method of producing isocyanate-modified latex polymer ROHM AND HAAS COMPANY (US) 1997-12-03 EP claimed
CN-111148813-B One-part polymer modifier 阿科玛股份有限公司 2024-03-22 CN disclosed
CN-111148813-A One-part polymer modifier 阿科玛股份有限公司 2020-05-12 CN disclosed
EP-2045290-B1 Improved polymer composition ROHM & HAAS (US) 2010-05-12 EP disclosed
EP-2045290-A1 Improved polymer composition Rohm and Haas Company (US) 2009-04-08 EP disclosed
EP-0810246-B1 Method of producing isocyanate-modified latex polymer ROHM & HAAS (US) 2004-07-28 EP disclosed
US-6153690-A REACTING A DI- OR POLYISOCYANATE WITH AN ISOCYANATE-REACTIVE POLYMER TO PRODUCE THE ISOCYANATE-MODIFIED ACRYLIC POLYMER OF THE PRESENT INVENTION HAVING EXTENDED SHELF STABILITY AND SOLVENT RESISTANCE. ROHM AND HAAS COMPANY (US) 2000-11-28 US disclosed
EP-0810246-A2 Method of producing isocyanate-modified latex polymer ROHM AND HAAS COMPANY (US) 1997-12-03 EP disclosed