SCHEMBL11648481

SCHEMBL11648481

[CH2]CCSCCNC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL30662613 0.80 TSHR (0.48) TSHRALDH1A1TDP1
SCHEMBL11555964 0.80 TSHR (0.48) TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL17633923 0.78 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL11314206 0.77 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL8419253 0.77 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL49447 0.76
SCHEMBL118178 0.75 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL11616630 0.75 TSHR (0.39) TSHRALDH1A1
SCHEMBL11195997 0.74 CYP2D6 (0.46) TSHRALDH1A1
SCHEMBL11830777 0.74 TSHR (0.50) TSHRALDH1A1TDP1

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
EP-4157247-A1 ANTI-VIRAL THERAPY Novabiotics Limited (GB) 2023-04-05 EP disclosed
WO-2021240145-A1 ANTI-VIRAL THERAPY NOVABIOTICS LIMITED (GB) 2021-12-02 WO disclosed
EP-3463325-A1 MICROPARTICLES COMPRISING A SULPHUR-CONTAINING COMPOUND Novabiotics Limited (GB) 2019-04-10 EP disclosed
WO-2018224813-A1 USE OF CYSTEAMINE COMPOSITIONS NOVABIOTICS LIMITED (GB) 2018-12-13 WO disclosed
WO-2017212249-A1 MICROPARTICLES COMPRISING A SULPHUR-CONTAINING COMPOUND NOVABIOTICS LIMITED (GB) 2017-12-14 WO disclosed
WO-2017212239-A1 TREATMENT OF DRUG-RESISTANT MICROBIAL INFECTIONS NOVABIOTICS LIMITED (GB) 2017-12-14 WO disclosed
US-4085217-A DERIVATIVES OF CYSTEINE OR CYSTEAMINE L'OREAL (FR) 1978-04-18 US disclosed