SCHEMBL22435583

SCHEMBL22435583

CC(C)c1cscc1O

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
SCHEMBL827192 0.80 GABRA1 (0.35)
SCHEMBL9968893 0.70
SCHEMBL446609 0.69
SCHEMBL5114544 0.69 GABRA1 (0.40)
SCHEMBL23424237 0.68
SCHEMBL18610692 0.68
SCHEMBL23339992 0.68
SCHEMBL22304506 0.68
SCHEMBL24295356 0.68
SCHEMBL15979646 0.68

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-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 US disclosed
US-20210128578-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-05-06 US disclosed
US-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 US disclosed
US-20210061763-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-03-04 US disclosed
US-10842798-B1 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2020-11-24 US disclosed
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 US disclosed