SCHEMBL24445116

SCHEMBL24445116

C/C=C\c1c(C)c2[nH]c3c(c2c2ccccc12)C=CCC3

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
SCHEMBL15213838 0.73 MEN1 (0.32) —
SCHEMBL17881854 0.68 — —
SCHEMBL17297618 0.68 MEN1 (0.36) —
SCHEMBL20858549 0.66 CYP1A2 (0.38) —
SCHEMBL25704930 0.65 — —
SCHEMBL9550665 0.64 AHR (0.40) —
SCHEMBL19546733 0.64 CDC25A (0.32) —
SCHEMBL21665585 0.63 — —
SCHEMBL19261611 0.63 CYP1A2 (0.35) —
SCHEMBL454277 0.63 HTR2A (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4002509-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2022-05-25 — — EP disclosed
Send feedback