SCHEMBL22372525

SCHEMBL22372525

[Li]C(C)(C)CC(C)(C)C.[Li]c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
RIPK1 Q13546 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
SLC6A2 P23975 1/20 0.32
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
SHBG P04278 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL110470 0.74
SCHEMBL1136809 0.71
SCHEMBL28069 0.71
SCHEMBL8407090 0.70 TAAR1 (0.43) POLBTAAR1SHBGMAPK1
SCHEMBL9013022 0.70 TAAR1 (0.43) POLBTAAR1SHBGMAPK1
Butane SCHEMBL15168957 0.69 TP53 (0.43) LMNA
SCHEMBL1820268 0.68
Methane SCHEMBL28886214 0.68
SCHEMBL3808897 0.68
SCHEMBL9161603 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414510-B2 Modified conjugated diene-based polymer and rubber composition including the same LG CHEM, LTD. 2022-08-16 US claimed
US-20200277426-A1 Modified Conjugated Diene-based Polymer and Rubber Composition Including the Same LG CHEM, LTD. (KR) 2020-09-03 US claimed
US-11414510-B2 Modified conjugated diene-based polymer and rubber composition including the same LG CHEM, LTD. 2022-08-16 US disclosed
EP-3722342-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND RUBBER COMPOSITION COMPRISING SAME LG CHEMICAL LTD (KR) 2022-02-16 EP disclosed
EP-3722342-A1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND RUBBER COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2020-10-14 EP disclosed
US-20200277426-A1 Modified Conjugated Diene-based Polymer and Rubber Composition Including the Same LG CHEM, LTD. (KR) 2020-09-03 US disclosed