SCHEMBL4186699

SCHEMBL4186699

O=C=NC(CCCCC(=O)O)N=C=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.48
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.44
TSHR P16473 1/20 0.44
PMP22 Q01453 1/20 0.44
ENPEP Q07075 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
AKR1B1 P15121 1/20 0.38
CYP2D6 P10635 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL139464 0.98 GSTK1 (0.50) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL10336347 0.94 GSTK1 (0.45) GSTK1LMNANFKB1TSHRPMP22
Methane SCHEMBL11143877 0.91 GSTK1 (0.44) GSTK1LMNANFKB1TSHRPMP22
Succinic Acid SCHEMBL9092696 0.83 FFAR4 (0.51) TSHRFFAR4FFAR1SLC22A6ALDH1A1
SCHEMBL9460682 0.82
SCHEMBL7626796 0.79
SCHEMBL11219943 0.79
Hydrochloric Acid SCHEMBL11757509 0.77 GSTK1 (0.46) GSTK1LMNANFKB1TSHRPMP22
SCHEMBL28474566 0.77 ALDH1A1 (0.43) GSTK1LMNANFKB1TSHRPMP22
Hydrochloric Acid SCHEMBL11752458 0.77 GSTK1 (0.46) GSTK1LMNANFKB1TSHRPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455201-A1 Fluorosulfone-silicone hydrogel RGP contact lenses, optical medical devices and compositions thereof Novicky, Nick N. (CA) 2004-09-08 EP claimed
EP-4288471-A1 WATER-DISPERSIBLE POLYISOCYANATE COMPOSITION, METHOD FOR PRODUCING COMPOSITION, WATER-BASED CURABLE COMPOSITION, WATER-BASED PAINT, AND ARTICLE DIC Corporation (JP) 2023-12-13 EP disclosed
EP-3833522-A1 METHOD FOR PRODUCING A THERMODEFORMABLE POLYMER/FIBER COMPOSITE BASF SE (DE) 2021-06-16 EP disclosed
EP-3684833-A1 METHOD FOR PRODUCING POLYISOCYANATES OF (CYCLO)ALIPHATIC DIISOCYANATES WHICH ARE FLOCCULATION-STABLE IN SOLVENTS BASF SE (DE) 2020-07-29 EP disclosed
EP-3648974-A1 METHOD FOR PRODUCING COMPOSITE ELEMENTS BY MEANS OF SPECIFIC APPLICATION OF A BONDING AGENT Covestro Deutschland AG (DE) 2020-05-13 EP disclosed
WO-2020030330-A1 METHOD FOR PRODUCING A THERMODEFORMABLE POLYMER/FIBER COMPOSITE BASF SE (DE) 2020-02-13 WO disclosed
EP-3502156-A1 ADHESIVE BASED ON A POLYURETHANE UREA CONTAINING CARBOXYLIC ACID GROUPS AND THEIR CROSSLINKING Covestro Deutschland AG (DE) 2019-06-26 EP disclosed
CN-103547605-B Polyurethaneurea mixture for hair cosmetics 科思创德国股份有限公司 2016-10-05 CN disclosed
CN-105940029-A Method for producing formaldehyde-alkyl carbonate-copolymers 科思创德国股份有限公司 2016-09-14 CN disclosed
CN-104144999-B Hydroxyl amino polymer and the purposes in polyurea polyurethanes tissue adhesive thereof 医用粘合剂革新有限责任公司 2016-08-17 CN disclosed
WO-2003102092-A1 WATER-BASED PIGMENT INKS, IMAGE RECORDING METHOD, AND IMAGE RECORDING SYSTEM DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2003-12-11 WO disclosed
WO-2003016612-A1 TEXTILE TREATMENT SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-27 WO disclosed
WO-2002097481-A1 POLYMERIC MATERIALS FOR MAKING CONTACT LENSES NOVARTIS AG (CH) 2002-12-05 WO disclosed
EP-1250369-A1 METHOD OF PREPARING AN OPTICAL POLYMERIZATE PPG Industries Ohio, Inc. (US) 2002-10-23 EP disclosed
EP-1146917-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2001-10-24 EP disclosed
WO-2001036507-A1 METHOD OF PREPARING AN OPTICAL POLYMERIZATE PPG INDUSTRIES OHIO, INC. (US) 2001-05-25 WO disclosed
WO-2000043050-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2000-07-27 WO disclosed
WO-1998008883-A1 POLYMERIC VEHICLES WHICH INCLUDE A PHENOL BLOCKED ISOCYANATE HAVING ALIPHATIC HYDROXYL FUNCTIONALITY EXXON CHEMICAL PATENTS, INC. (US) 1998-03-05 WO disclosed
EP-0819258-A1 EXTENDED WEAR OPHTHALMIC LENS Novartis AG (CH) 1998-01-21 EP disclosed
WO-1996031792-A1 EXTENDED WEAR OPHTHALMIC LENS NOVARTIS AG (CH) 1996-10-10 WO disclosed