SCHEMBL9770742

SCHEMBL9770742

CC(C)(CF)C(=O)Cn1cncn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FDPS P14324 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9619345 0.87 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11344957 0.85 POLB (0.33) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11096568 0.85 EGLN3 (0.47) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10332748 0.83 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27975527 0.83 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1968152 0.82 TSHR (0.47) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10407825 0.81 EGLN3 (0.40) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11244290 0.78 FDPS (0.34) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11244294 0.78 FDPS (0.34) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10729444 0.77 EGLN3 (0.42) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223327-B1 TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-16 EP disclosed
US-4999043-A Triazolylmethyl tert-butyl carbinol derivatives which have plant growth regulating properties IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0212841-B1 SUBSTITUTED HYDROXYBUTYNYL AZOLES AS PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-29 EP disclosed
US-4931082-A Triazole derivatives useful as plant growth regulating agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-05 US disclosed
US-4895589-A TRIAZOLE, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-23 US disclosed
US-4818762-A POWDERY MILDEW ON BARLEY; RUSTS ON WHEAT AND BEANS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
US-4715887-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-12-29 US disclosed
US-4711657-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-12-08 US disclosed
EP-0223142-A1 (-)-Antipodes of (E)-1-(4-chlorophenyl)-5-fluoro-4,4-dimethyl-3-hydroxy-2(1,2,4-triazole-1-yl)-pent-1-ene BAYER AG (DE) 1987-05-27 EP disclosed
EP-0223327-A1 Triazolylmethyl-tert.-butyl-carbinol derivatives, processes for their preparation and their use as plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-27 EP disclosed
EP-0108995-A1 Hydroxyalkinyl-azolyl derivatives BAYER AG (DE) 1984-05-23 EP disclosed
US-4427672-A Combating fungi with substituted triazolylalkyl pyridyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1984-01-24 US disclosed
EP-0032200-B1 SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES BAYER AG (DE) 1983-07-13 EP disclosed
EP-0031911-B1 SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-KETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES BAYER AG (DE) 1982-11-17 EP disclosed
US-4344953-A INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0045016-A1 Triazolylalkyl-pyridyl ethers, their preparation and use as fungicides BAYER AG (DE) 1982-02-03 EP disclosed
EP-0005249-B1 SUBSTITUTED ALKANYL-AZOLYL CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES, ACARICIDES AND NEMATOCIDES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0032200-A1 Substituted triazolylmethyl-tert.-butyl-carbinols, process for their preparation and their use as plant protecting agents as well as intermediates BAYER AG (DE) 1981-07-22 EP disclosed
EP-0031911-A2 Substituted triazolylmethyl-tert.-butyl-ketones, process for their preparation and their use as plant protecting agents as well as intermediates BAYER AG (DE) 1981-07-15 EP disclosed
EP-0005249-A2 Substituted alkanyl-azolyl carbamates, process for their preparation and their use as insecticides, acaricides and nematocides BAYER AG (DE) 1979-11-14 EP disclosed