SCHEMBL855879

SCHEMBL855879

CNc1ccc(C)o1

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
Hydrochloric Acid SCHEMBL28007821 0.97
SCHEMBL8127892 0.81
Dimethylamine SCHEMBL3189287 0.78 TDP1 (0.79)
SCHEMBL14869541 0.76 LMNA (0.40)
SCHEMBL13157143 0.76 TDP1 (0.48)
SCHEMBL25571562 0.76 TDP1 (0.48)
SCHEMBL29020618 0.74
SCHEMBL31103 0.73
SCHEMBL14869036 0.72 TDP1 (0.33)
SCHEMBL9936913 0.71 TDP1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206870-B Tricyclic AKR1C 3-dependent KARS inhibitors 诺华股份有限公司 2024-09-03 CN disclosed
CN-117642397-A Modified proteins and protein binders 上海睿跃生物科技有限公司 2024-03-01 CN disclosed
US-20230365544-A1 SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-11-16 US disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
CN-115403579-A Novel spiro derivative and application thereof 上海拓界生物医药科技有限公司 2022-11-29 CN disclosed
CN-109153644-B Small molecules against CEREBLON to enhance effector T cell function H·李·莫菲特癌症中心研究有限公司 2022-10-21 CN disclosed
CN-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 CN disclosed
CN-110003214-B Substituted pyrazolo [1,5-a ] pyrimidine compounds as TRK kinase inhibitors 阵列生物制药公司 2021-12-21 CN disclosed
CN-110177775-A ROR gamma modulators and application thereof 基恩菲特公司 2019-08-27 CN disclosed
CN-109153644-A SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION H·李·莫菲特癌症中心研究有限公司 2019-01-04 CN disclosed
CN-1211373-C 2,4-di (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
WO-2005053688-A1 SUBSTITUTED FURO[2,3-G] INDAZOLES FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2005-06-16 WO disclosed
EP-1341754-B1 SUBSTITUTED ANTHRANILIC ACIDS AVENTIS PHARMA GMBH (DE) 2004-12-08 EP disclosed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US disclosed
EP-1341754-A1 SUBSTITUTED ANTHRANILIC ACIDS Aventis Pharma Deutschland GmbH (DE) 2003-09-10 EP disclosed
CN-1406230-A 2,4-di (hetero-) arylamino (-oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-03-26 CN disclosed
CN-1391562-A Quinazoline derivatives as medicaments ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2002046148-A1 SUBSTITUTED ANTHRANILIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 WO disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed