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Sugi Predict / Compounds / SCHEMBL10071630

SCHEMBL10071630

SCHEMBL10071630

CCC1(COCc2ccc(-c3ccc(N(c4ccc(-c5ccc(COCC6(CC)COC6)cc5)cc4)c4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8ccc(-c9ccc(N(c%10ccc(-c%11ccc(COCC%12(CC)COC%12)cc%11)cc%10)c%10ccc(-c%11ccc(COCC%12(CC)COC%12)cc%11)cc%10)cc9)cc8)cc7)c7ccc(-c8ccc(-c9ccc(N(c%10ccc(-c%11ccc(COCC%12(CC)COC%12)cc%11)cc%10)c%10ccc(-c%11ccc(COCC%12(CC)COC%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)COC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ PTGES O14684 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
SCHEMBL13028076 0.95 FAAH (0.34) TSHR
SCHEMBL13581278 0.95 NAAA (0.34) TSHR
SCHEMBL13028015 0.95 FAAH (0.34) TSHR
SCHEMBL13028057 0.95 FAAH (0.34) TSHR
SCHEMBL13581289 0.95 NAAA (0.34) TSHR
SCHEMBL686052 0.93 TSHR (0.36) TSHRPTGES
SCHEMBL13581277 0.92 CHKA (0.33) TSHR
SCHEMBL26002060 0.91 NAAA (0.32) TSHR
SCHEMBL10331069 0.91 RARB (0.35) TSHR
SCHEMBL13028073 0.90 MEN1 (0.34) TSHRPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737345-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic electroluminescent element, lighting device, and display device formed therewith RESONAC CORPORATION (JP) 2023-08-22 — — US disclosed
US-9929346-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic electroluminescent element, lighting device, and display device formed therewith HITACHI CHEMICAL COMPANY, LTD. (JP) 2018-03-27 — — US disclosed
US-20150263288-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELETROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH RESONAC CORPORATION (JP) 2015-09-17 — — US disclosed
US-20120074360-A1 Organic Electronic Material, Ink Composition Containing Same, and Organic Thin Film, Organic Electronic Element, Organic Electroluminescent Element, Lighting Device, and Display Device Formed Therewith HITACHI CHEMICAL COMPANY (JP) 2012-03-29 — — US disclosed