SCHEMBL16634758

SCHEMBL16634758

CC(C)(C)S/C(C#N)=C\C=C\N1CCCCC1

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
SCHEMBL16634760 1.00 — —
SCHEMBL16634762 0.85 RECQL (0.43) —
SCHEMBL16634763 0.85 RECQL (0.43) —
SCHEMBL16634620 0.78 — —
SCHEMBL16634576 0.78 — —
SCHEMBL8322342 0.72 KMT2A (0.33) —
SCHEMBL8322347 0.72 KMT2A (0.33) —
SCHEMBL11333089 0.72 KMT2A (0.33) —
SCHEMBL24421695 0.70 KMT2A (0.34) —
SCHEMBL16634989 0.69 KMT2A (0.38) —

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
WO-2015053576-A1 METHOD FOR PREPARATION OF 3-ALKYLTHIO-2-BROMOPYRIDINE LG LIFE SCIENCES LTD. (KR) 2015-04-16 — — WO claimed
WO-2015053576-A1 METHOD FOR PREPARATION OF 3-ALKYLTHIO-2-BROMOPYRIDINE LG LIFE SCIENCES LTD. (KR) 2015-04-16 — — WO disclosed
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