SCHEMBL7860908

SCHEMBL7860908

CCCCCC1(CCl)CO1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL29108037 0.98 ALDH1A1 (0.39) ALDH1A1TSHRSIRT2
SCHEMBL5945171 0.93
SCHEMBL1322599 0.85 SIRT2 (0.38) TSHRSIRT2
SCHEMBL2411591 0.83 TSHR (0.42) TSHRSIRT2
SCHEMBL11623341 0.83 TSHR (0.42) TSHRSIRT2
SCHEMBL12586891 0.83 TSHR (0.42) TSHRSIRT2
SCHEMBL11625730 0.83 TSHR (0.42) TSHRSIRT2
SCHEMBL2101819 0.83 TSHR (0.42) TSHRSIRT2
SCHEMBL1994954 0.83 TSHR (0.42) TSHRSIRT2
SCHEMBL2030187 0.83 TSHR (0.42) TSHRSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120397-A2 Process for preparing triazole derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-01 EP claimed
EP-0704419-A1 PROCESS FOR PRODUCING TRIAZOLE DERIVATIVE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-03 EP claimed
EP-1120397-A2 Process for preparing triazole derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-01 EP disclosed
US-6046354-A CHEMICAL INTERMEDIATES, E.G. 2-ARYL-1,3-DIACYLOXY-2-PROPANOL, FOR DRUGS AND FUNGICIDES,E.G. (R)-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPANE-1,2-DIOL, KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-04-04 US disclosed
US-5840553-A OPTICALLY ACTIVE 2-ARYL-3-ACYLOXY-1,2,-PROPANE DIOL USING A MICROORGANISM OR ENZYME DERIVED FROM PORCINE PANCREAS; VIA STEREOSPECIFIC HYDROLYSIS OF A 2-ARYL-1,3-DIACYLOXY-2-PROPANOL; SYNTHETIC CHEMICAL INTERMEDIATES, FUNGICIDES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5654472-A OPTICALLY PURE 2-ARYL-3-ACYLOXY-1,2-PROPANEDIOL COMPOUNDS; CHEMICAL INTERMEDIATES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0704419-A1 PROCESS FOR PRODUCING TRIAZOLE DERIVATIVE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-03 EP disclosed