SCHEMBL5328404

SCHEMBL5328404

C1CCN(SSN2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 1.00
PIN1 Q13526 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
FBP1 P09467 1/20 0.32

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
SCHEMBL5965068 0.96 MGLL (0.92) MGLL
SCHEMBL11538068 0.85 MGLL (0.73) MGLL
SCHEMBL12195318 0.82 MGLL (0.78) MGLLPHGDHALDH1A1ALDH2
SCHEMBL13539394 0.79
SCHEMBL19977106 0.79
SCHEMBL5337164 0.75 MGLL (0.60) MGLLPIN1PHGDHALDH1A1ALDH2
SCHEMBL18949241 0.75 MGLL (0.60) MGLLPIN1PHGDHALDH1A1ALDH2
SCHEMBL18581640 0.75 MGLL (0.60) MGLLPIN1PHGDHALDH1A1ALDH2
Carbamic Acid SCHEMBL29099925 0.75 MGLL (0.58) MGLLALDH1A1
SCHEMBL23183147 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108686223-A A kind of preparation carrying medicine composite material by the external chitosan tubulose mesoporous silicon oxide of disulfide bond 常州大学 2018-10-23 CN claimed
WO-2007141811-A2 PROCESS FOR PREPARING A SEMICONDUCTOR SUBSTRATE FOR BIOLOGICAL ANALYSIS STMICROELECTRONICS S.R.L. (IT) 2007-12-13 WO claimed
US-4168981-A Bis(substituted amino)sulfides as reversible inhibitor sources for photopolymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-09-25 US claimed
EP-3337917-B1 SELF-HEALING COATINGS FOR OIL AND GAS APPLICATIONS BAKER HUGHES HOLDINGS LLC (US) 2023-10-11 EP disclosed
US-20190249308-A1 SELF-HEALING COATINGS FOR OIL AND GAS APPLICATIONS BAKER HUGHES, A GE COMPANY, LLC (US) 2019-08-15 US disclosed
US-10316413-B2 Self-healing coatings for oil and gas applications BAKER HUGHES, A GE COMPANY, LLC (US) 2019-06-11 US disclosed
CN-104448700-B Resin combination 味之素株式会社 2019-01-22 CN disclosed
CN-109196008-A Reactive polysiloxane and polymerizable composition, polymerizable composition comprising the reactive polysiloxane 日产化学株式会社 2019-01-11 CN disclosed
EP-3337917-A1 SELF-HEALING COATINGS FOR OIL AND GAS APPLICATIONS Baker Hughes Incorporated (US) 2018-06-27 EP disclosed
US-20170051156-A1 SELF-HEALING COATINGS FOR OIL AND GAS APPLICATIONS BAKER HUGHES INCORPORATED (US) 2017-02-23 US disclosed
US-9068269-B2 Inhibiting corrosion caused by aqueous aldehyde solutions BAKER HUGHES INCORPORATED (US) 2015-06-30 US disclosed
US-4315928-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-02-16 US disclosed
US-4250939-A N,N'-DITHIODIAMINE VULCANIZER BRIDGESTONE TIRE COMPANY LIMITED (JP) 1981-02-17 US disclosed
US-4168981-A Bis(substituted amino)sulfides as reversible inhibitor sources for photopolymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-09-25 US disclosed
US-4151353-A INSECTICIDE AND MITICIDE INTERMEDIATES UNION CARBIDE CORPORATION (US) 1979-04-24 US disclosed
US-4071627-A 2-Oximino-tetrahydro-1,4-thiazin-5-one compounds and pesticidal carbamate derivatives UNION CARBIDE CORPORATION (US) 1978-01-31 US disclosed
US-4061836-A CYCLIC POLYKETO, N,N'-POLYTHIODIAMINE BARD LABORATORIES, INC. (US) 1977-12-06 US disclosed
US-4042642-A 1,3-BIS(MORPHOLINOTHIO)-IMIDAZOLIDINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-08-16 US disclosed
US-3960857-A Urea additives for sulfur vulcanizable polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-01 US disclosed
US-3944552-A VULCANIZATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-03-16 US disclosed