SCHEMBL133031

SCHEMBL133031

O=C=NC1(N=C=O)CCC(CC2CCCCC2(N=C=O)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
SCHEMBL5551366 0.89 ALDH1A1 (0.31)
SCHEMBL22694 0.85 ALDH1A1 (0.31)
SCHEMBL10782669 0.82 ALDH1A1 (0.42)
SCHEMBL42360 0.80 ALDH1A1 (0.34)
SCHEMBL283833 0.79
SCHEMBL875240 0.78 ALDH1A1 (0.31)
SCHEMBL475684 0.75
SCHEMBL475956 0.72
SCHEMBL10713840 0.72
SCHEMBL17937479 0.72 ALDH1A1 (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 338 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481885-B1 HIGH-SOLIDS CONTENT SOLVENT-BASED ADHESIVE COMPOSITIONS AND METHODS OF MAKING SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2023-09-13 EP claimed
EP-3481879-B1 TWO-COMPONENT ADHESIVE COMPOSITIONS AND METHODS OF MAKING SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2021-12-22 EP claimed
US-11168175-B2 TPU pneumatic tubes made with mono ethyleneglycol as chain extender for high temperature use BASF SE (DE) 2021-11-09 US claimed
EP-3891202-A1 POLYURETHANE WITH (2-OXO-1,3-DIOXOLANE-4-CARBOXYLATE) END GROUPS Bostik SA (FR) 2021-10-13 EP claimed
CN-113227185-A Continuous preparation of PPG-based TPUs 巴斯夫欧洲公司 2021-08-06 CN claimed
EP-3481884-B1 HIGH-SOLIDS CONTENT SOLVENT-BASED ADHESIVE COMPOSITIONS AND METHODS OF MAKING SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2021-03-03 EP claimed
WO-2020115430-A1 POLYURETHANE WITH (2-OXO-1,3-DIOXOLANE-4-CARBOXYLATE) END GROUPS BOSTIK SA (FR) 2020-06-11 WO claimed
US-10577463-B2 NCO-free compounds and usage thereof in a curable composition HENKEL AG & CO. KGAA (DE) 2020-03-03 US claimed
US-20180265621-A1 TPU PNEUMATIC TUBES MADE WITH MONO ETHYLENEGLYCOL AS CHAIN EXTENDER FOR HIGH TEMPERATURE USE BASF SE (DE) 2018-09-20 US claimed
EP-3002302-B1 Curable composition HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
EP-1593669-A1 Multi-step process for the continuous preparation of cycloaliphatic diisocyanates Degussa AG (DE) 2005-11-09 EP claimed
EP-1512681-A1 Multi-step process for the continuous preparation of cycloaliphatic diisocyanates Degussa AG (DE) 2005-03-09 EP claimed
EP-1512680-A1 Multi-step process for the continuous preparation of cycloaliphatic diisocyanates Degussa AG (DE) 2005-03-09 EP claimed
EP-1512682-A1 Multi-step process for the continuous preparation of cycloaliphatic diisocyanates Degussa AG (DE) 2005-03-09 EP claimed
EP-1026185-B1 Dendrimers and highly branched polyurethanes BASF AG (DE) 2005-02-16 EP claimed
EP-1054030-B1 Linear oligo- and polyurethanes having defined structure, their manufacture and uses BASF AG (DE) 2002-12-04 EP claimed
EP-1134247-A2 Highfunctionality polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP claimed
EP-1134246-A2 Polyisocyanate BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP claimed
EP-1054030-A1 Linear oligo- and polyurethanes having defined structure, their manufacture and uses BASF AKTIENGESELLSCHAFT (DE) 2000-11-22 EP claimed
EP-1026185-A1 Dendrimers and highly branched polyurethanes BASF AKTIENGESELLSCHAFT (DE) 2000-08-09 EP claimed