SCHEMBL8337997

SCHEMBL8337997

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=NCCO1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
SCD O00767 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL959108 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL961102 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL7060405 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL7056733 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL7061452 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL7058385 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL2493950 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL7206068 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL7056094 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE
SCHEMBL960613 1.00 KCNH2 (0.34) KCNH2TSHRTHRBALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5997944-A AN OXAZINE OR OXAZOLINE OR SALTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-12-07 US disclosed
EP-0750652-B1 LEVELLING AGENTS FOR POWDERED PAINTS HENKEL KGAA (DE) 1999-07-28 EP disclosed
EP-0743969-B1 LEVELLING AGENT FOR COATING POWDERS HENKEL KGAA (DE) 1998-08-05 EP disclosed
US-5786308-A POLYOXAZOLINES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-07-28 US disclosed
EP-0750652-A1 LEVELLING AGENTS FOR POWDERED PAINTS Henkel Kommanditgesellschaft auf Aktien (DE) 1997-01-02 EP disclosed
EP-0743969-A1 LEVELLING AGENT FOR COATING POWDERS Henkel Kommanditgesellschaft auf Aktien (DE) 1996-11-27 EP disclosed
WO-1995025144-A1 LEVELLING AGENTS FOR POWDERED PAINTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-09-21 WO disclosed
WO-1995021894-A1 LEVELLING AGENT FOR COATING POWDERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-08-17 WO disclosed