SCHEMBL2550545

SCHEMBL2550545

CC(O)CN(C)C.COS(=O)(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL2507765 0.87 MEN1 (0.30)
Sulfuric Acid SCHEMBL28168720 0.86 TP53 (0.32)
SCHEMBL11101796 0.84 PIK3CD (0.35)
SCHEMBL28420946 0.83 KCNA5 (0.30)
SCHEMBL28743565 0.79 L3MBTL1 (0.36)
Trimethylammonium SCHEMBL27895074 0.78 CA1 (0.31)
SCHEMBL9188538 0.78
SCHEMBL8389 0.78
SCHEMBL907639 0.78
SCHEMBL3086752 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107250338-A Fabrid care composition comprising metathesized unsaturated polyol ester 宝洁公司 2017-10-13 CN claimed
CN-107075414-A Fabric softener active compound 赢创德固赛有限公司 2017-08-18 CN claimed
CN-106714849-A Substrates comprising malodor reduction compositions 宝洁公司 2017-05-24 CN claimed
CN-112342802-B Preparation method of penetrant 英德市东鸿化工科技有限公司 2022-12-13 CN disclosed
EP-3390483-B1 ENCAPSULATION PROCTER & GAMBLE (US) 2022-05-18 EP disclosed
EP-3206782-B1 CONTROLLED RELEASE DUAL WALLED MICROCAPSULES PROCTER & GAMBLE (US) 2021-12-15 EP disclosed
US-11192904-B2 Silicone compounds comprising a benefit agent moiety THE PROCTER & GAMBLE COMPANY (US) 2021-12-07 US disclosed
US-11180714-B2 Controlled release microcapsules ENCAPSYS, LLC (US) 2021-11-23 US disclosed
US-10864167-B2 Encapsulation THE PROCTER & GAMBLE COMPANY (US) 2020-12-15 US disclosed
US-20200277546-A1 TREATMENT COMPOSITIONS PROCTER & GAMBLE (US) 2020-09-03 US disclosed
US-10723975-B2 Treatment compositions THE PROCTER & GAMBLE COMPANY (US) 2020-07-28 US disclosed
US-20160024429-A1 TREATMENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-01-28 US disclosed
WO-2016014744-A1 FABRIC AND HOME CARE TREATMENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-01-28 WO disclosed
WO-2016014743-A1 FABRIC AND HOME CARE TREATMENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-01-28 WO disclosed
EP-2756062-A1 FLUID FABRIC ENHANCER COMPOSITIONS The Procter and Gamble Company (US) 2014-07-23 EP disclosed
WO-2013040115-A1 FLUID FABRIC ENHANCER COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2013-03-21 WO disclosed
EP-2553066-A1 FABRIC SOFTENER ACTIVE COMPOSITION Evonik Degussa GmbH (DE) 2013-02-06 EP disclosed
EP-2553071-A1 HEAT STABLE FABRIC SOFTENER The Procter & Gamble Company (US) 2013-02-06 EP disclosed
WO-2011120822-A1 FABRIC SOFTENER ACTIVE COMPOSITION EVONIK DEGUSSA GMBH (DE) 2011-10-06 WO disclosed
WO-2011123733-A1 HEAT STABLE FABRIC SOFTENER THE PROCTER & GAMBLE COMPANY (US) 2011-10-06 WO disclosed