SCHEMBL5392280

SCHEMBL5392280

CN1C(C)(C)C=C(O)CC1(C)C

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
SCHEMBL4205230 0.74 — —
SCHEMBL3134427 0.71 SMN1; SMN2 (0.50) —
SCHEMBL9998923 0.66 — —
SCHEMBL12345773 0.66 — —
SCHEMBL23730106 0.65 P2RX7 (0.41) —
SCHEMBL17748823 0.59 — —
SCHEMBL19375204 0.57 — —
SCHEMBL1114448 0.57 ALDH1A1 (0.50) —
SCHEMBL15752196 0.57 — —
SCHEMBL578932 0.57 GAA (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253229-B2 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2007-08-07 — — US disclosed
EP-1067144-B1 Polymer-bonded functional agents DAINICHISEIKA COLOR CHEM (JP) 2006-10-25 — — EP disclosed
US-20050226835-A1 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-10-13 — — US disclosed
US-6936659-B2 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-08-30 — — US disclosed
US-20030078346-A1 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2003-04-24 — — US disclosed
EP-1067144-A1 Polymer-bonded functional agents DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2001-01-10 — — EP disclosed
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