SCHEMBL8466546

SCHEMBL8466546

CCCCC(O)(O)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
FDPS P14324 10/20 0.35
GGPS1 O95749 6/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
TSHR P16473 1/20 0.33

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
SCHEMBL11596859 0.93 FDPS (0.43) ALDH1A1FDPSGGPS1CES2CES1
SCHEMBL28415354 0.85
SCHEMBL17030340 0.78 ALDH1A1 (0.44) ALDH1A1FDPSGGPS1CES2CES1
Nitric Acid SCHEMBL31295856 0.76 ALDH1A1 (0.42) ALDH1A1FDPSGGPS1CES2CES1
SCHEMBL15339686 0.75 ALDH1A1 (0.46) ALDH1A1FDPSCES2CES1TSHR
SCHEMBL31487362 0.75 ALDH1A1 (0.46) ALDH1A1FDPSCES2CES1TSHR
Nitric Acid SCHEMBL8021647 0.74 ALDH1A1 (0.41) ALDH1A1FDPSGGPS1CES2CES1
SCHEMBL14167475 0.74 FDPS (0.43) ALDH1A1FDPSGGPS1CES2CES1
SCHEMBL6470024 0.74
SCHEMBL1998822 0.73 ALDH1A1 (0.50) ALDH1A1FDPSCES2CES1TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939357-A FUNGICIDE OF DRY BLENDED FORMULATION WITH DRY BLENDED ALKALI METAL AND AMMONIUM BICARBONATE WITH WATER SOLUBLE POLYHYDROXY COMPOUND CHURCH & DWIGHT CO., INC. 1999-08-17 US disclosed
US-5910323-A AQUEOUS PESTICIDE FORMULATION HAVING A FUNGICIDAL INORGANIC BICARBONATE SALT, COMPATIBILITY ENHANCING WATER SOLUBLE POLYHYDROXY ORGANIC COMPOUND AND A SURFACTANT; STORAGESTABILITY, SPREADABILITY, ADHESION TO FOLIAGE CHURCH & DWIGHT CO., INC. 1999-06-08 US disclosed
US-5739172-A FATTY ACID ALKALI METAL AND AMMONIUM SALTS, BICARBONATES, CARBONATES; PET SHAMPOOS CHURCH & DWIGHT CO., INC. (US) 1998-04-14 US disclosed
US-5346704-A With a compatibility enhancing ingredient consisting of water soluble organic compound; herbicides, fungicides CHURCH & DWIGHT CO., INC. (US) 1994-09-13 US disclosed
US-5342630-A Potassium bicarbonate, fatty acid salt and sorbitol compatibility enhancing ingredient CHURCH & DWIGHT CO., INC. (US) 1994-08-30 US disclosed
US-5338551-A Powders of fungicidal particles having alkali metal or ammonium bicarbonates adsorbed on their surfaces CHURCH & DWIGHT CO., INC. A CORPORATION OF DELAWARE 1994-08-16 US disclosed
WO-1994000983-A1 POLYFUNCTIONAL AGROCHEMICAL BICARBONATE-CONTAINING COMPOSITIONS CHURCH & DWIGHT COMPANY, INC. (US) 1994-01-20 WO disclosed
WO-1994000982-A1 ENVIRONMENTALLY SAFE PESTICIDE COMPOSITIONS CHURCH & DWIGHT COMPANY, INC. (US) 1994-01-20 WO disclosed
WO-1994000986-A1 PLANT GROWTH REGULATING COMPOSITIONS CHURCH & DWIGHT COMPANY, INC. (US) 1994-01-20 WO disclosed
WO-1993022914-A1 POLYFUNCTIONAL BICARBONATE-CONTAINING AGROCHEMICAL COMPOSITIONS CHURCH & DWIGHT COMPANY, INC. (US) 1993-11-25 WO disclosed
WO-1993022912-A1 FUNGICIDE COMPOSITIONS CHURCH & DWIGHT COMPANY (US) 1993-11-25 WO disclosed
WO-1993022915-A1 INSECTICIDE COMPOSITIONS CHURCH & DWIGHT COMPANY, INC. (US) 1993-11-25 WO disclosed
WO-1993022919-A1 HERBICIDE COMPOSITIONS CHURCH & DWIGHT COMPANY, INC. (US) 1993-11-25 WO disclosed