SCHEMBL5147150

SCHEMBL5147150

CC(C)OCCO[C]=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL7248471 0.85 ALDH1A1 (0.36)
SCHEMBL7249703 0.85 ALDH1A1 (0.36)
SCHEMBL7252546 0.83 ALDH1A1 (0.35)
SCHEMBL5430902 0.83 ALDH1A1 (0.35)
SCHEMBL7249004 0.78
SCHEMBL2347175 0.78
SCHEMBL544750 0.76 LMNA (0.35)
SCHEMBL28310143 0.76 LMNA (0.35)
SCHEMBL6573282 0.76
SCHEMBL514125 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-10-07 US disclosed
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-07 US disclosed
EP-3828176-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-06-02 EP disclosed
US-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2020-08-27 US disclosed
WO-2020022350-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT 北興化学工業株式会社 2020-01-30 WO disclosed
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
US-20040082472-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-04-29 US disclosed
US-6602825-B1 Cyclization of an isocyanate with a thiourea and carbonic acid BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
CN-1341105-A 1-aryl-1,3,5-triazine-4-thione-2,6-diones, production thereof and use thereof as herbicides BASF AG (DE) 2002-03-20 CN disclosed
EP-1157012-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-28 EP disclosed
US-5521145-A Iminothiazoline derivatives and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1996-05-28 US disclosed
EP-0683160-A1 Iminothiazoline derivatives and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-22 EP disclosed
EP-0501167-B1 Liquid dye preparations BASF AG (DE) 1995-07-05 EP disclosed
US-5205838-A LIQUID DYE PREPARATIONS: BIS PHENYL-AZO-RESORCINOL IN SOLVENT FOR COLORED RIBBON OR BALL PEN INK BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
EP-0315898-B1 ISOTHIAZOLE AZO DYES BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
EP-0501167-A1 Liquid dye preparations BASF Aktiengesellschaft (DE) 1992-09-02 EP disclosed
EP-0275381-B1 DYE TRANSFER PROCESS BASF Aktiengesellschaft (DE) 1992-03-04 EP disclosed
US-4929720-A YELLOW DYES FOR SYNTHETIC FIBERS BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0315898-A2 Isothiazole azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
EP-0275381-A2 Dye transfer process BASF Aktiengesellschaft (DE) 1988-07-27 EP disclosed