SCHEMBL268784

SCHEMBL268784

O=C=NCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CHRM5 P08912 2/20 0.31
HSD11B1 P28845 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
EPHX1 P07099 2/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL2891590 0.97
SCHEMBL21239945 0.93 ALDH1A1 (0.38) ALDH1A1KEAP1NFE2L2ADH1BADH1C
SCHEMBL48238 0.93 ALDH1A1 (0.38) ALDH1A1KEAP1NFE2L2ADH1BADH1C
SCHEMBL3692469 0.92
Acetic Acid SCHEMBL5148263 0.88 KEAP1 (0.36) ALDH1A1KEAP1NFE2L2HSD11B1EPHX1
SCHEMBL28538710 0.88 KEAP1 (0.42) ALDH1A1KEAP1NFE2L2
SCHEMBL44332 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1590056 0.87
SCHEMBL19732912 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1081546 0.87 ALDH1A1 (0.31) ALDH1A1

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

Appears in 7478 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122094997-A Aqueous polyurethane coatings for printing applications 2026-05-26 CN claimed
CN-122095001-A Blocked isocyanate prepolymer system and preparation method and application thereof 2026-05-26 CN claimed
WO-2026100817-A1 ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY COMPRISING SAME 동화일렉트로라이트 주식회사 2026-05-15 WO claimed
EP-4739721-A1 A SOLVENT-FREE POLYURETHANE DISPERSION BASED ON POLYTRIMETHYLENE ETHER GLYCOL Covestro Deutschland AG (DE) 2026-05-13 EP claimed
US-12570864-B2 Storage-stable pigmented formulations containing isocyanate groups and use thereof COVESTRO DEUTSCHLAND AG (DE) 2026-03-10 US claimed
WO-2025228982-A1 PROCESS FOR RECYCLING A COMPOSITION COMPRISING A POLY(UREA-URETHANE) POLYMER WITH HINDERED UREA BONDS BASF SE (DE) 2025-11-06 WO claimed
WO-2025228991-A1 RECYCLABLE POLY(UREA-URETHANE) SYSTEM BASF SE (DE) 2025-11-06 WO claimed
EP-4638541-A1 RECYCLABLE POLY(UREA-URETHANE) POLYMER AND COMPOSITE WITH DYNAMIC HINDERED UREA BONDS (HUBS) BASF SE (DE) 2025-10-29 EP claimed
EP-3931234-B1 STORAGE STABLE PIGMENTED ISOCYANATE GROUP-CONTAINING FORMULATIONS COMPRISING ISOCYANATE GROUP-CONTAINING RUBBING RESIN AND THEIR USE COVESTRO DEUTSCHLAND AG (DE) 2025-10-15 EP claimed
US-12398234-B2 Poly(arylene ether) compositions SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2025-08-26 US claimed
EP-0406334-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1991-01-09 EP claimed
EP-0395346-A2 Photosensitive composition Fuji Photo Film Co., Ltd. (JP) 1990-10-31 EP claimed
US-4923756-A COMPRISING A MIXTURE OF POLYURETHANE PREPOLYMER, AN ALIPHATIC POLYISOCYANATE AND A CURING AGENT; BONDING STRENGTH; AUTOMOBILE AND MARINE PARTS ASHLAND OIL, INC. (US) 1990-05-08 US claimed
US-4898803-A BASED UPON A CARBOXYLIC-CONTAINING DIHYDROXY MONOMER; WEAR RESISTANCE; DURABILITY; POSITIVES; LITHOGRAPHIC PLATES; PHOTORESISTS FUJI PHOTO FILM CO., LTD. (JP) 1990-02-06 US claimed
WO-1990000572-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1990-01-25 WO claimed
EP-0304083-A2 Primerless adhesive for fiberglass reinforced polyester substrates Ashland Oil, Inc. (US) 1989-02-22 EP claimed
EP-0081712-B1 ONE-PACK TYPE THERMOSETTING POLYURETHANE COATING COMPOSITION Takeda Chemical Industries, Ltd. (JP) 1987-01-07 EP claimed
US-4591545-A Photosensitive image-forming material having a layer of photosensitive polyester modified with chain extender DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-05-27 US claimed
EP-0001965-B1 PROCESS FOR THE PREPARATION OF FOAMED MATERIALS BAYER AG (DE) 1982-12-15 EP claimed
EP-0043651-A2 Polyisocyanates Takeda Chemical Industries, Ltd. (JP) 1982-01-13 EP claimed