SCHEMBL31290680

SCHEMBL31290680

[2H]C([2H])([2H])C1=NCCS1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL31290679 1.00
Bromide SCHEMBL5521061 0.78
SCHEMBL18072591 0.62 NOS3 (0.41)
SCHEMBL3289230 0.59
SCHEMBL932881 0.58
SCHEMBL10037148 0.58
Iodide SCHEMBL11169882 0.58
Hydrochloric Acid SCHEMBL10840793 0.58
SCHEMBL3289759 0.57
SCHEMBL6736939 0.57 NOS3 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304540-A1 2-METHYL-2-THIAZOLINE SALT MYRODIA THERAPEUTICS CO., LTD. (JP) 2025-10-02 US disclosed
CN-119173507-A Salts of 2-methyl-2-thiazoline 迈罗迪亚疗法株式会社 2024-12-20 CN disclosed