SCHEMBL102231

SCHEMBL102231

CC(C)CC1CCC(OC(C)C)CC1

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
SCHEMBL25143837 1.00 — —
SCHEMBL4546673 0.80 — —
SCHEMBL2461 0.80 — —
SCHEMBL21775731 0.80 OPRK1 (0.34) —
SCHEMBL74849 0.80 DEGS1 (0.36) —
SCHEMBL10121187 0.80 DEGS1 (0.36) —
SCHEMBL178342 0.79 CYP19A1 (0.33) —
SCHEMBL18937660 0.79 CYP19A1 (0.33) —
SCHEMBL18937453 0.79 CYP19A1 (0.33) —
SCHEMBL178340 0.79 IDO1 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 — — US disclosed
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 — — US disclosed
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 — — US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 — — US disclosed
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