SCHEMBL491464

SCHEMBL491464

Cc1cc(C(C)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
SCHEMBL8470678 0.80
SCHEMBL23057952 0.80
SCHEMBL29413694 0.80
SCHEMBL1823892 0.77 DAO (0.41)
SCHEMBL21912502 0.77
SCHEMBL26884998 0.76 KDM5B (0.40)
SCHEMBL19355714 0.75
SCHEMBL24925866 0.75 ABCB11 (0.37)
SCHEMBL786450 0.74 ALDH1A1 (0.34)
SCHEMBL23956495 0.73 ALDH1A1 (0.40)

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 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
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-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 US disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 WO disclosed
WO-2022094354-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 WO disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
WO-2006001501-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 WO disclosed
WO-2006001511-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 WO disclosed
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-22 US disclosed
WO-2005085253-A1 PYRROLOPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 WO disclosed
WO-2005066178-A1 TRIAZA-CYCLOPENTA[CD]INDENE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
WO-2005066142-A2 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
WO-2005066182-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO disclosed
US-4711742-A Solution processible forms of neutral and electrically conductive poly(substituted heterocycles) ALLIED CORPORATION (US) 1987-12-08 US disclosed