SCHEMBL9617995

SCHEMBL9617995

COc1c(C)c(C)c(OC)c(CC[C@](C)(O)CO)c1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL9617996 1.00 IMPDH2 (0.33) IMPDH2IMPDH1CA2CA4
SCHEMBL8935340 0.88 IMPDH2 (0.35) IMPDH2IMPDH1CA2CA4
SCHEMBL8935350 0.88 IMPDH2 (0.35) IMPDH2IMPDH1CA2CA4
SCHEMBL10916603 0.78 IMPDH2 (0.33) IMPDH2IMPDH1
SCHEMBL10916627 0.78 IMPDH2 (0.33) IMPDH2IMPDH1
SCHEMBL10405563 0.78 IMPDH2 (0.35) IMPDH2IMPDH1
SCHEMBL10592486 0.76 IMPDH2 (0.31) IMPDH2IMPDH1
SCHEMBL10406721 0.75 PTPN1 (0.51)
SCHEMBL8563125 0.75 IMPDH2 (0.49) IMPDH2IMPDH1CA2CA4
SCHEMBL8564172 0.74 IMPDH2 (0.41) IMPDH2IMPDH1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4283530-A None JP disclosed
JP-H04283530-A PRODUCTION OF 4-SUBSTITUTED-2-METHYL-1,2-BUTANEDIOL DERIVATIVE KURARAY CO LTD 1992-10-08 JP disclosed
EP-0129252-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE HYDROQUINONE DERIVATIVES AND OF D-ALPHA-TOCOPHEROL F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP disclosed
EP-0257503-B1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE HYDROQUINONE DERIVATIVES AND D-ALPHA-TOCOPHEROL F. HOFFMANN-LA ROCHE AG (CH) 1990-05-23 EP disclosed
US-4904823-A Hydroquinone derivatives and a process for their preparation HOFFMANN-LA ROCHE INC. (US) 1990-02-27 US disclosed
EP-0173142-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE DERIVATIVES OF HYDROQUINONE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-05-31 EP disclosed
US-4824972-A Hydroquinone derivatives HOFFMANN-LAROCHE INC. (US) 1989-04-25 US disclosed
US-4808736-A Process for the preparation of hydroquinone derivatives and d-α-tocopherol HOFFMANN-LAROCHE INC. (US) 1989-02-28 US disclosed
US-4743696-A Hydroquinone derivatives and a process for their preparation HOFFMANN-LA ROCHE INC. (US) 1988-05-10 US disclosed
EP-0257503-A1 Process for the production of optically active hydroquinone derivatives and d-alpha-tocopherol F. HOFFMANN-LA ROCHE AG (CH) 1988-03-02 EP disclosed
US-4709055-A (Alkoxy-methyl)-phenyl-methyl-epoxybutanes HOFFMANN-LA ROCHE INC. (US) 1987-11-24 US disclosed
US-4689427-A Hydroquinone derivatives useful in the production of vitamin E HOFFMANN-LA ROCHE INC. (US) 1987-08-25 US disclosed
US-4675421-A Hydroquinone derivatives and a process for their preparation HOFFMANN-LA ROCHE INC. (US) 1987-06-23 US disclosed
EP-0065368-B1 A PROCESS FOR PREPARING CHROMANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-30 EP disclosed
EP-0183042-A2 Process for the preparation of hydrochinone derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-06-04 EP disclosed
US-4582919-A Process for the manufacture of optically active compounds HOFFMANN-LA ROCHE INC. (US) 1986-04-15 US disclosed
EP-0173142-A2 Process for the preparation of optically active derivatives of hydroquinone F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-03-05 EP disclosed
EP-0129252-A2 Process for the preparation of optically active hydroquinone derivatives and of d-alpha-tocopherol F. HOFFMANN-LA ROCHE AG (CH) 1984-12-27 EP disclosed
US-4424389-A Synthesis of 6-hydroxychroman-2-methanol derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-03 US disclosed
EP-0065368-A1 A process for preparing chromans SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-24 EP disclosed