SCHEMBL268997

SCHEMBL268997

[CH2]CCC(C)(O)CO

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
SCHEMBL3153309 0.83
SCHEMBL6418905 0.82
SCHEMBL28594 0.81
SCHEMBL3165265 0.81 ALDH1A1 (0.30)
SCHEMBL357212 0.77
SCHEMBL270881 0.75
SCHEMBL7117446 0.74 ALDH1A1 (0.33)
SCHEMBL3008479 0.74
SCHEMBL283797 0.73
SCHEMBL3959777 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026155-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP claimed
US-5824811-A 22-Thiavitamin D3 derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-10-20 US claimed
EP-1888509-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2013-05-15 EP disclosed
US-8133851-B2 Heteroaroyl-substituted serine amides BASF SE (DE) 2012-03-13 US disclosed
US-20110318470-A1 Method For Improving Plant Health BASF SE (DE) 2011-12-29 US disclosed
US-20110209253-A1 Method for Improving Plant Health BASF SE (DE) 2011-08-25 US disclosed
EP-2348841-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
EP-2348849-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
US-7879761-B2 Herbicides; 1-{Methylcarbamoyl-[(1-methyl-3-trifluoromethyl-1H-pyrazol-4-carbonyl)amino]methyl}-allyl acetate; acylation of keto compounds and reduction of the ketone, or the serine derivative is reacted with a heteroaryl acid and then with a secondary or tertiary amine BASF AKTIENGESELLSCHAFT (DE) 2011-02-01 US disclosed
EP-2121583-B1 HETEROARYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2010-09-22 EP disclosed
US-7786046-B2 Benzoyl-substituted serineamides BASF AKTIENGESELLSCHAFT (DE) 2010-08-31 US disclosed
EP-0755922-B1 22-THIAVITAMIN D3 DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-08-16 EP disclosed
EP-1026155-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP disclosed
US-5977092-A Drug for curing/ameliorating concomitant syndrome of tumor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
EP-0947504-A1 16-ENE-VITAMIN D DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-06 EP disclosed
US-5824811-A 22-Thiavitamin D3 derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-10-20 US disclosed
EP-0870503-A1 MALIGNANT TUMOR METASTASIS INHIBITORS Chugai Seiyaku Kabushiki Kaisha (JP) 1998-10-14 EP disclosed
EP-0764443-A1 AMELIORANT OR REMEDY FOR PARANEOPLASTIC SYNDROME Chugai Seiyaku Kabushiki Kaisha (JP) 1997-03-26 EP disclosed
EP-0755922-A1 22-THIAVITAMIN D 3 DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-01-29 EP disclosed
US-4910252-A Unsaturated polysiloxane KANSAI PAINT CO., LTD. (JP) 1990-03-20 US disclosed