SCHEMBL1123481

SCHEMBL1123481

CC(CCN=C=O)C1CCC(C)(N=C=O)CC1

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
SCHEMBL10600790 0.77
SCHEMBL10445996 0.77 ALDH1A1 (0.33)
SCHEMBL10571337 0.77
SCHEMBL8071386 0.73
SCHEMBL10641430 0.73
SCHEMBL2774598 0.71
SCHEMBL45919 0.70
SCHEMBL8527641 0.69
SCHEMBL3207936 0.67
SCHEMBL10203456 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
EP-1985672-B1 Phase Change Ink Compositions XEROX CORP (US) 2011-02-09 EP claimed
US-7811370-B2 Phase change ink compositions XEROX CORPORATION (US) 2010-10-12 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
EP-2207525-A2 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT METHOD L'Oréal (FR) 2010-07-21 EP claimed
WO-2009053594-A2 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2009-04-30 WO claimed
US-20080264288-A1 Phase change ink compositions XEROX CORPORATION. 2008-10-30 US claimed
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment L'OREAL S.A. (FR) 2007-08-16 US claimed
US-7256249-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-08-14 US claimed
EP-1797868-A1 Cosmetic composition comprising a (thio)urethane/(thio)urea copolymer capable of forming at least 3 hydrogen bonds, and process for cosmetic treatment L'Oréal (FR) 2007-06-20 EP claimed
US-20050272899-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-12-08 US claimed
EP-0548669-B1 Isocyanato carboxylic acids, a method for their preparation and their use BAYER AG (DE) 1995-07-12 EP claimed
EP-0548669-A2 Isocyanato carboxylic acids, a method for their preparation and their use BAYER AG (DE) 1993-06-30 EP claimed
US-4835239-A Diisocyanates and their use for the preparation of polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1989-05-30 US claimed
US-4777220-A Process for the production of prepolymers containing isocyanate groups, prepolymers produced by this process and their use BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US claimed
EP-0278351-A2 Process for the preparation of prepolymers containing isocyante groups, the prepolymers so obtained and their use BAYER AG (DE) 1988-08-17 EP claimed
EP-0153561-B1 DIISOCYANATES AND THEIR USE IN THE PRODUCTION OF POLYURETHANE PLASTICS BAYER AG (DE) 1987-08-12 EP claimed
EP-0153561-A1 Diisocyanates and their use in the production of polyurethane plastics BAYER AG (DE) 1985-09-04 EP claimed
EP-2267062-B1 SUPRAMOLECULAR POLYMERS CONTAINING QUADRUPLE HYDROGEN BONDING UNITS IN THE POLYMER BACKBONE SUPRAPOLIX BV (NL) 2017-10-25 EP disclosed
EP-0153561-A1 Diisocyanates and their use in the production of polyurethane plastics BAYER AG (DE) 1985-09-04 EP disclosed