SCHEMBL4387890

SCHEMBL4387890

CCC(C([O])=O)N(C)C

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
SCHEMBL18762848 0.80 USP2 (0.35)
SCHEMBL14817091 0.78
SCHEMBL291712 0.78
SCHEMBL6135566 0.78
SCHEMBL14448410 0.78
SCHEMBL4380350 0.78
Hydrochloric Acid SCHEMBL5152591 0.76 CHRM1 (0.35)
SCHEMBL9229201 0.76 NPC1 (0.31)
SCHEMBL572461 0.76
SCHEMBL19432853 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084165-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF OXICAMS AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATE Techfields Biochem Co. Ltd (CN) 2009-08-05 EP disclosed
WO-2008044095-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF OXICAMS AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-04-17 WO disclosed
US-5610315-A Process for the preparation of 6,7-diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-03-11 US disclosed
US-5484954-A HEATING, DEACYLATING NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-01-16 US disclosed
US-5420117-A Antitumor agents TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0378706-B1 5-SUBSTITUTED URIDINE DERIVATIVES AND INTERMEDIATES FOR THEIR PREPARATION TAIHO PHARMACEUTICAL CO LTD (JP) 1994-12-28 EP disclosed
US-5302730-A Acylation with acetic acid at positions one and seven; eliminating acyl group at position seven by solvolysis NIPPON KAYAKU KK (JP) 1994-04-12 US disclosed
EP-0297496-B1 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KK (JP) 1994-01-19 EP disclosed
US-5245052-A PROCESS FOR PRODUCING 6-ACYL-7-DEACETYLFORSKOLIN DERIVATIVES NIPPON KAYAKU CO. LTD. (JP) 1993-09-14 US disclosed
EP-0469428-A1 Novel process for producing 6-acyl-7-deacetylforskolin derivatives HOECHST JAPAN LIMITED (JP) 1992-02-05 EP disclosed
EP-0297496-A2 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-01-04 EP disclosed