SCHEMBL171791

SCHEMBL171791

CC1=CCNCC1

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 SCHEMBL1076986 0.97
Hydrochloric Acid SCHEMBL28965843 0.85 HTR2C (0.37)
SCHEMBL10296582 0.84
SCHEMBL22340580 0.80 ALDH1A1 (0.35)
SCHEMBL8384557 0.76
SCHEMBL257424 0.71
SCHEMBL7396564 0.69 HTR6 (0.51)
SCHEMBL4671168 0.67 HTR2C (0.66)
SCHEMBL19557964 0.67
SCHEMBL7027937 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391556-A Thrombin inhibitors KARL THOMAE GMBH (DE) 1995-02-21 US claimed
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2024-07-11 US disclosed
WO-2024079623-A1 TRICYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2024-04-18 WO disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed
WO-2024017977-A1 IMIDAZOPYRIDINE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2024-01-25 WO disclosed
EP-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed
WO-2024009232-A1 SUBSTITUTED N-(PYRIDIN-2-YL)ACETAMIDE DERIVATIVES AS CDK12/13 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-01-11 WO disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399327-A1 HIGH ACTIVITY HPK1 KINASE INHIBITOR ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2023-12-14 US disclosed
EP-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed
US-5391556-A Thrombin inhibitors KARL THOMAE GMBH (DE) 1995-02-21 US disclosed
EP-0579618-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES Pfizer Limited (GB) 1994-01-26 EP disclosed
EP-0555824-A1 N-alpha-arylsulfonylated benzimidazolylalaninamide derivatives, medicaments based thereon and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed
WO-1992017451-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LIMITED (GB) 1992-10-15 WO disclosed
US-4447613-A Pyridyl esters and thiolesters of aminoalkanoic acids ZOECON CORPORATION (US) 1984-05-08 US disclosed
US-4269981-A Certain pyridylmethyl esters of formamido-lower-alkanoates and derivatives thereof ZOECON CORPORATION (US) 1981-05-26 US disclosed
US-4247701-A Certain pesticidal substituted amino lower-alkanoates or lower-alkano-thioates containing pyridyl in the ester portion ZOECON CORPORATION (US) 1981-01-27 US disclosed