SCHEMBL3389910

SCHEMBL3389910

CCCCCO[CH]CCCCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.48
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LPAR1 Q92633 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL8575768 0.98 LMNA (0.52) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL853295 0.94 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL198357 0.89 TSHR (0.40) ALDH1A1TSHRCNR1CNR2LPAR1
SCHEMBL202082 0.87 TSHR (0.44) LMNAHSD17B10TSHRTHRBMAPT
SCHEMBL199845 0.87 TSHR (0.44) LMNAHSD17B10TSHRTHRBMAPT
SCHEMBL198576 0.87 TSHR (0.44) LMNAHSD17B10TSHRTHRBMAPT
SCHEMBL199294 0.87 TSHR (0.44) LMNAHSD17B10TSHRTHRBMAPT
SCHEMBL199912 0.87 TSHR (0.44) LMNAHSD17B10TSHRTHRBMAPT
SCHEMBL980876 0.87 TSHR (0.44) LMNAHSD17B10TSHRTHRBMAPT
SCHEMBL198324 0.87 TSHR (0.44) LMNAHSD17B10TSHRTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436416-B1 USE OF A CATION SOURCE TO PREVENT DECOMPOSITION OF (THIO)PHOSPHORIC ACID TRIAMIDE UREASE INHIBITORS WHEN A PHOSPHORUS-CONTAINING FERTILIZER IS PRESENT BASF SE (DE) 2024-01-24 EP disclosed
EP-3763692-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2021-01-13 EP disclosed
EP-3725756-A2 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING AMINES, OR COLORANTS, AND AN ADDUCT OF THE THREE COMPOUNDS N-(N-BUTYL) THIOPHOSPHORIC ACID TRIAMIDE (NBPT), UREA, AND FORMALDEHYDE BASF SE (DE) 2020-10-21 EP disclosed
WO-2019197183-A1 METHOD FOR OBTAINING A UREA-BASED FERTILIZER COMPOSITION COMPRISING A (THIO)PHOSPHORIC ACID TRIAMIDE UREASE INHIBITOR VIA PROVIDING A LIQUID OR SOLID PREMIX WITH SPECIFIC WEIGHT RATIOS BASF SE (DE) 2019-10-17 WO disclosed
EP-3436416-A1 USE OF A CATION SOURCE TO PREVENT DECOMPOSITION OF (THIO)PHOSPHORIC ACID TRIAMIDE UREASE INHIBITORS WHEN A PHOSPHORUS-CONTAINING FERTILIZER IS PRESENT BASF SE (DE) 2019-02-06 EP disclosed
EP-3237360-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2017-11-01 EP disclosed
WO-2017168288-A1 USE OF A CATION SOURCE TO PREVENT DECOMPOSITION OF (THIO)PHOSPHORIC ACID TRIAMIDE UREASE INHIBITORS WHEN A PHOSPHORUS-CONTAINING FERTILIZER IS PRESENT BASF SE (DE) 2017-10-05 WO disclosed
WO-2016103168-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2016-06-30 WO disclosed
WO-2010012746-A2 PROCESS OF ISOLATING ENANTIOMER COMPONENTS FROM ENANTIOMER MIXTURES BY PARTICLE-SIZE-CONTROLLED CRYSTALLIZATION POXEL (FR) 2010-02-04 WO disclosed