SCHEMBL8409372

SCHEMBL8409372

CC1(C)OC(=O)C(Br)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BACE1 P56817 1/20 0.34
TSHR P16473 1/20 0.33
PTPN1 P18031 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
SCHEMBL146063 0.74 GLA (0.37) GLANPSR1BACE1TSHRPTPN1
SCHEMBL15636224 0.74
SCHEMBL14306611 0.72 GLA (0.36) GLANPSR1BACE1TSHRPTPN1
SCHEMBL588865 0.72 GLA (0.36) GLANPSR1BACE1TSHRPTPN1
SCHEMBL584895 0.72 BACE1 (0.38) GLANPSR1BACE1TSHRPTPN1
SCHEMBL27575442 0.72 BACE1 (0.38) GLANPSR1BACE1TSHRPTPN1
SCHEMBL8163132 0.70 GLA (0.47) GLANPSR1BACE1TSHRPTPN1
SCHEMBL12040077 0.69 BACE1 (0.36) GLANPSR1BACE1TSHRPTPN1
SCHEMBL623278 0.69 PTPN1 (0.39) GLANPSR1BACE1TSHRPTPN1
SCHEMBL13502650 0.69 GLA (0.34) GLANPSR1BACE1TSHRPTPN1

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
US-5739387-A CATALYTIC CYCLIZATION WITH A CERIUM SALT OR A PERSULFATE SALT, DECYCLIZATION, DEBLOCKING AND DEPROTECTING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US claimed
US-5864041-A REACTING N-ACYL-3,4-DIHYDROXYPHENYLALAMINE DERIVATIVE WITH A HALOGEN RADICAL GENERATOR, A CERIUM SALT IN PRESENCE OR ABSENCE OF COPPER SALT CATALYST, OR A PERSULFATE SALT WITH COPPER CATALYST; USEFUL FOR TREATING NERVOUS SYSTEM DISORDERS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-01-26 US disclosed
US-5739376-A Fullerene derivatives, methods of preparing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5739387-A CATALYTIC CYCLIZATION WITH A CERIUM SALT OR A PERSULFATE SALT, DECYCLIZATION, DEBLOCKING AND DEPROTECTING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0695287-B1 FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 1997-10-29 EP disclosed
EP-0695287-A1 FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 1996-02-07 EP disclosed
WO-1994025424-A1 FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed