SCHEMBL7785447

SCHEMBL7785447

C#CCN(CC#C)C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PYCR1 P32322 1/20 0.31

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
SCHEMBL11379681 0.85
SCHEMBL11366120 0.82 CA12 (0.40) DPP4ALDH1A1TSHR
SCHEMBL4621524 0.74 PYCR1 (0.35) ALDH1A1TSHRPYCR1
Allidochlor SCHEMBL4273793 0.74 NPC1 (0.35) ALDH1A1TSHR
SCHEMBL9956876 0.74
SCHEMBL27551745 0.72 PYCR1 (0.31) PYCR1
SCHEMBL7200816 0.72 PYCR1 (0.38) DPP4ALDH1A1PYCR1
Hydrochloric Acid SCHEMBL27352987 0.70 SLC6A2 (0.30)
SCHEMBL8549712 0.69 MAOA (0.31) ALDH1A1TSHRPYCR1
SCHEMBL10783419 0.69

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
EP-1144392-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-17 EP disclosed
WO-2000040568-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-07-13 WO disclosed
US-5776858-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-07-07 US disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
US-5747420-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-05 US disclosed
US-5728723-A ANTIDIURETIC AND OXYTOCIN RECEPTORS SANOFI (FR) 1998-03-17 US disclosed
EP-0820994-A1 Tetrazolinones as herbicides and intermediates NIHON BAYER AGROCHEM K.K. (JP) 1998-01-28 EP disclosed
US-5668087-A Herbicidal 1-alkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-09-16 US disclosed
EP-0771797-A1 1-Azinyl-tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1997-05-07 EP disclosed
EP-0733624-A1 Herbicidal 1-alkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-09-25 EP disclosed
EP-0711761-A1 Tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-05-15 EP disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed