SCHEMBL780956

SCHEMBL780956

CC1(C)CC(=O)C=CS1

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
SCHEMBL16307337 0.77
SCHEMBL8291815 0.66 ALDH1A1 (0.48)
SCHEMBL3400868 0.62
SCHEMBL1536047 0.62
SCHEMBL805305 0.60 ALDH1A1 (0.35)
SCHEMBL3908567 0.60 GSK3A (0.36)
SCHEMBL318228 0.59
SCHEMBL10385358 0.59
SCHEMBL8059037 0.57 GSK3A (0.33)
SCHEMBL14248633 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041255-A1 COMPOSITIONS AND METHODS FOR TREATING AUTOIMMUNE SKIN DISEASES YALE UNIVERSITY 2025-02-06 US disclosed
CN-117337291-A Pyridine derivatives having C-linked cyclic substituents as cGAS inhibitors 勃林格殷格翰国际有限公司 2024-01-02 CN disclosed
US-10881656-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2021-01-05 US disclosed
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-08 US disclosed
US-9604958-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2017-03-28 US disclosed
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2015-01-22 US disclosed
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2012-03-22 US disclosed
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 WO disclosed