SCHEMBL18013286

SCHEMBL18013286

c1cnc2c(n1)CCO2

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
SCHEMBL9923674 0.86 ACHE (0.40)
SCHEMBL17164008 0.69
SCHEMBL127996 0.65
SCHEMBL18013216 0.65 TSHR (0.42)
SCHEMBL618831 0.65
SCHEMBL19239761 0.65
SCHEMBL449522 0.64
SCHEMBL1484172 0.64
SCHEMBL14298 0.64
SCHEMBL25064264 0.63 MAPK13 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20220402841-A1 Stilbene Derivative and Method for Preparing Same Ozchela Inc. (KR) 2022-12-22 US disclosed
WO-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 WO disclosed