SCHEMBL1960965

SCHEMBL1960965

CN[C@@H](C)C(=O)[O-].[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
Lithium Ion SCHEMBL31009357 0.94
Potassium Ion SCHEMBL373503 0.94
Potassium Ion SCHEMBL688227 0.94
Hydrochloric Acid SCHEMBL2537193 0.92
SCHEMBL902801 0.79 CA2 (0.39)
SCHEMBL2905187 0.77
Alanine SCHEMBL29444025 0.76 SLC7A5 (0.36)
SCHEMBL10493061 0.74
SCHEMBL11433897 0.72 CA1 (0.40)
SCHEMBL29492088 0.72 CA2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5058853-A None JP disclosed
CN-114539091-B Isopyrazolamide compound and preparation method and application thereof 佛山奕安赛医药科技有限公司 2024-11-05 CN disclosed
WO-2024142440-A1 LIQUID SKIN-CLEANING AGENT COMPOSITION ライオン株式会社 2024-07-04 WO disclosed
WO-2023276272-A1 LIQUID SKIN CLEANSER COMPOSITION ライオン株式会社 2023-01-05 WO disclosed
WO-2022270014-A1 SKIN CLEANING AGENT COMPOSITION ライオン株式会社 2022-12-29 WO disclosed
WO-2022264507-A1 LIQUID SKIN CLEANSER COMPOSITION ライオン株式会社 2022-12-22 WO disclosed
WO-2022145393-A1 DISCHARGE PRODUCT 株式会社ダイゾー 2022-07-07 WO disclosed
WO-2022137677-A1 LIQUID SKIN CLEANSER COMPOSITION ライオン株式会社 2022-06-30 WO disclosed
WO-2022113876-A1 DISCHARGE PRODUCT 株式会社ダイゾー 2022-06-02 WO disclosed
CN-113661232-A Liquid skin detergent composition 狮王株式会社 2021-11-16 CN disclosed
CN-1518439-A Cosmetic material �����ɷ� 2004-08-04 CN disclosed
US-20040138373-A1 Polyorganosiloxane emulsion composition and a cosmetic material made therefrom DOW TORAY CO., LTD. (JP) 2004-07-15 US disclosed
CN-1505663-A Polyorganosiloxane emulsion composition and a cosmetic material made therefrom ������������ʽ���� 2004-06-16 CN disclosed
CN-1496387-A Polyorganosiloxane emulsion, process for producing the same, and material for cosmetic preparation 陶氏康宁东丽硅氧烷株式会社 2004-05-12 CN disclosed
EP-1381651-A1 POLYORGANOSILOXANE EMULSION COMPOSITION AND A COSMETIC MATERIAL MADE THEREFROM Dow Corning Toray Silicone Co.,Ltd. Patent Department (JP) 2004-01-21 EP disclosed
WO-2002088253-A1 POLYORGANOSILOXANE EMULSION COMPOSITION AND A COSMETIC MATERIAL MADE THEREFROM DOW CORNING TORAY SILICONE CO., LTD. (JP) 2002-11-07 WO disclosed
CN-1039966-C Dentifrice composition SUNSTAR INC (JP) 1998-09-30 CN disclosed
JP-H0558853-A SHAMPOO COMPOSITION HAVING CONDITIONING EFFECT KEN HOORII KENKYUSHO:KK 1993-03-09 JP disclosed
US-5035881-A Bactericides, ethylene oxide-propylene oxide copolymer SUNSTAR KABUSHIKI KAISHA (JP) 1991-07-30 US disclosed
CN-1046674-A DENTIFRICE COMPOSITION SUNSTAR INC (JP) 1990-11-07 CN disclosed