SCHEMBL21455

SCHEMBL21455

CNc1cc[c]cc1

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 SCHEMBL8724212 0.97
SCHEMBL7005378 0.89 TSHR (0.42)
SCHEMBL7009496 0.80 ALDH1A1 (0.42)
SCHEMBL153943 0.75 TSHR (0.67)
SCHEMBL12467721 0.73 HSD17B10 (0.44)
Bromide SCHEMBL7630752 0.72 TSHR (0.62)
Hydrochloric Acid SCHEMBL2801770 0.72 TSHR (0.62)
Hydrochloric Acid SCHEMBL6241253 0.72 TSHR (0.62)
Water SCHEMBL486305 0.71
SCHEMBL4672020 0.71 ATM (0.31)

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

Appears in 4202 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125602-A1 SALTS AND SOLID FORMS OF A COMPOUND HAVING GLP-1 AGONIST ACTIVITY GASHERBRUM BIO, INC. (US) 2024-06-20 WO claimed
CN-117143158-A Cyclic palladium catalyst precursor, cyclic palladium catalyst, preparation method and application 宁夏中星显示材料有限公司 2023-12-01 CN claimed
CN-115745995-A ATR inhibitors and uses thereof 苏州浦合医药科技有限公司 2023-03-07 CN claimed
CN-113024342-B Method for regio-and stereoselectively synthesizing (E) -2,4, 4-trisubstituted conjugated diene 温州大学 2022-06-24 CN claimed
CN-113024341-B Method for regio-and stereoselectively synthesizing (E, E) -1,4, 4-trisubstituted conjugated diene 温州大学 2022-05-20 CN claimed
EP-3997083-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2022-05-18 EP claimed
CN-114127066-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2022-03-01 CN claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
US-11046662-B2 2-aryl-4-hydroxy-1,3-thiazole derivatives useful as TRPM8-inhibitors in treatment of neuralgia, pain, COPD and asthma DOMPÉ FARMACEUTICI S.P.A. (IT) 2021-06-29 US claimed
EP-3201208-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-03-24 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
EP-0032856-B1 2,3-DIHYDROIMIDAZO (1,2-B) PYRIDAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE SYNTHELABO (FR) 1983-02-09 EP claimed
EP-0064707-A1 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 EP claimed
US-4353903-A 2,3-Dihydro-imidazo[1,2-b]pyridazine derivatives, their preparation and use in treatment of depression SYNTHELABO (FR) 1982-10-12 US claimed
US-4332809-A ANTIALLERGENS TANABE SEIYAKU CO., LTD. (JP) 1982-06-01 US claimed
US-4321207-A Process for preparing triarylmethane dyes AMERICAN CYANAMID COMPANY (US) 1982-03-23 US claimed
EP-0034349-A2 Novel pyridinecarboxamide derivatives, a process for the preparation thereof, the use of said derivatives and a pharmaceutical composition containing same Tanabe Seiyaku Co., Ltd. (JP) 1981-08-26 EP claimed
EP-0032856-A1 2,3-Dihydroimidazo (1,2-b) pyridazine derivatives, process for their preparation and their therapeutical use SYNTHELABO (FR) 1981-07-29 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
US-4214909-A SESQUITERPENE ALCOHOLS AND CARBOXYLIC ACID ESTERS THEREOF KURARAY CO., LTD. (JP) 1980-07-29 US claimed