SCHEMBL128700

SCHEMBL128700

CCCOCC1CCC1

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
SCHEMBL12064423 0.95 CYP1A2 (0.41)
SCHEMBL14084719 0.93 CYP1A2 (0.44)
SCHEMBL2703487 0.93 CYP1A2 (0.44)
SCHEMBL13179100 0.91 SMN1; SMN2 (0.38)
SCHEMBL3295224 0.91 CYP1A2 (0.38)
SCHEMBL16108499 0.90 SMN1; SMN2 (0.43)
SCHEMBL127998 0.90
SCHEMBL127696 0.88 SMN1; SMN2 (0.54)
SCHEMBL127440 0.86 ALDH1A1 (0.53)
SCHEMBL130814 0.84 ALDH1A1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US claimed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-8084472-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-12-27 US disclosed
US-20090186888-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2009-07-23 US disclosed
US-7514440-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2009-04-07 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20070203135-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2007-08-30 US disclosed
US-7241779-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-07-10 US disclosed