Isothiocyanate

Isothiocyanate

SCHEMBL8940171

N=C=S.N=C=S.N=C=S.N=C=S

nearest known ligand 0.43

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
Isothiocyanate SCHEMBL4002 1.00
Isothiocyanate SCHEMBL133963 1.00
Isothiocyanate SCHEMBL331482 1.00
Isothiocyanate SCHEMBL331891 0.93 ALDH1A1 (0.38) ALDH1A1LMNA
Isothiocyanate SCHEMBL550842 0.93
Isothiocyanate SCHEMBL20183932 0.93
Isothiocyanate SCHEMBL191111 0.93
Isothiocyanate SCHEMBL1534323 0.93
Isothiocyanate SCHEMBL6013846 0.93
Isothiocyanate SCHEMBL22204423 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107732187-B Silicon dioxide-graphene composite negative electrode material and preparation method thereof 乌兰察布市大盛石墨新材料股份有限公司 2020-12-29 CN disclosed
US-5578288-A Metal-binding targeted polypeptide constructs CYTOGEN CORPORATION (US) 1996-11-26 US disclosed
US-5567411-A ADMINISTERING TO A WARM-BLOODED ANIMAL TO OBTAIN A MAGNETIC RESONANCE IMAGE OF SUBJECT STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1996-10-22 US disclosed
EP-0689545-A4 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LAB (US) 1996-04-24 EP disclosed
EP-0689545-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-03 EP disclosed