SCHEMBL4903609

SCHEMBL4903609

CCC(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
SCHEMBL7553235 0.86 TRPA1 (0.33)
SCHEMBL3234240 0.81 TRPA1 (0.31)
SCHEMBL14525949 0.80
SCHEMBL5505839 0.79
SCHEMBL28092894 0.78
SCHEMBL18245221 0.78 TRPA1 (0.32)
SCHEMBL9559060 0.77
SCHEMBL28093107 0.77 LMNA (0.36)
SCHEMBL28127586 0.77 ACE2 (0.34)
SCHEMBL29263109 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018038869-A1 AMORPHOUS THERMOSET THIOURETHANE POLYMERS, METHOD OF SYNTHESIS THEREOF AND USE IN BIO-ELECTRONIC DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-03-01 WO claimed
WO-2018035102-A1 THIOURETHANE POLYMERS, METHOD OF SYNTHESIS THEREOF AND USE IN FUSED FILAMENT FABRICATION PRINTING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2018-02-22 WO claimed
EP-3856817-A1 ONE-PART THERMALLY CURABLE COMPOSITION 3M Innovative Properties Company (US) 2021-08-04 EP disclosed
EP-3765546-A1 COMPOSITIONS, METHOD OF BONDING, AND BONDED ASSEMBLY 3M Innovative Properties Company (US) 2021-01-20 EP disclosed
WO-2020065456-A1 ONE-PART THERMALLY CURABLE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-04-02 WO disclosed
CN-107406461-B Heterocyclic alkyne derivatives and their use as mGluR5 receptor modulators 雷科尔达蒂爱尔兰有限公司 2020-03-13 CN disclosed
WO-2019175709-A1 COMPOSITIONS, METHOD OF BONDING, AND BONDED ASSEMBLY 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-09-19 WO disclosed
EP-3240792-B1 HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS RECORDATI IRELAND LTD (IE) 2019-01-23 EP disclosed
EP-3298194-A2 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED PAPERBOARDS AND PAPER MEDIA BASF SE (DE) 2018-03-28 EP disclosed
WO-2018038869-A1 AMORPHOUS THERMOSET THIOURETHANE POLYMERS, METHOD OF SYNTHESIS THEREOF AND USE IN BIO-ELECTRONIC DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-03-01 WO disclosed
WO-2018035102-A1 THIOURETHANE POLYMERS, METHOD OF SYNTHESIS THEREOF AND USE IN FUSED FILAMENT FABRICATION PRINTING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2018-02-22 WO disclosed
CN-101312942-A Aldimines comprising reactive groups containing active hydrogen, and use thereof SIKA TECHNOLOGY AG (CH) 2008-11-26 CN disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
US-4288382-A Reversible adducts of isocyanates with boron compounds VERTAC, INC. (US) 1981-09-08 US disclosed
US-4285876-A CARBAMYLATION; DECOMPOSITION UPON HEATING; STORAGE STABILITY VERTAC, INC. (US) 1981-08-25 US disclosed