SCHEMBL31298686

SCHEMBL31298686

NC1(CC2CO2)C=CC=C(CC2CO2)C1

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
SCHEMBL28655349 0.61
SCHEMBL28628073 0.61
SCHEMBL11116415 0.56
SCHEMBL10703404 0.55
SCHEMBL28680460 0.54
SCHEMBL6812293 0.53 TP53 (0.31)
SCHEMBL28354522 0.52
SCHEMBL131333 0.52 TDP1 (0.38)
SCHEMBL29015002 0.51
SCHEMBL333024 0.50 DHFR (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119630528-A Connection body of metal materials and connection method of metal materials 株式会社力森诺科 2025-03-14 CN disclosed
CN-119156511-A Heat exchanger and method for manufacturing heat exchanger 株式会社力森诺科 2024-12-17 CN disclosed