SCHEMBL312115

SCHEMBL312115

C#CCC(C)(C)O

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
SCHEMBL8921485 0.79
SCHEMBL11826734 0.75
SCHEMBL7551519 0.75
SCHEMBL5807433 0.75
SCHEMBL3206688 0.72 ALDH1A1 (0.38)
SCHEMBL22616854 0.72
SCHEMBL1760694 0.72
SCHEMBL6152885 0.72 FDPS (0.30)
SCHEMBL10870980 0.72 FDPS (0.30)
SCHEMBL11507122 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117980297-A Substituted aminopyridine compounds as EGFR inhibitors 柳韩洋行 2024-05-03 CN claimed
US-5494750-A HYDROSILATION WITH PLATINUM CATALYST AND RETARDING AGENT ENCAPSULATED BY SILICONE FOR EXCELLENT STORAGE STABILITY SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-27 US claimed
US-20260042759-A1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2026-02-12 US disclosed
EP-4676591-A2 SMALL MOLECULE FSH RECEPTOR MODULATORS Ferring B.V. (NL) 2026-01-14 EP disclosed
US-12502376-B2 Pyrano[4,3-b]indole derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
US-12466823-B2 Inhibitor containing bicyclic derivative, preparation method therefor and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-11-11 US disclosed
US-20250257076-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS cGAS INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-08-14 US disclosed
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
EP-3971187-B1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2025-05-07 EP disclosed
US-20240424113-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2024-12-26 US disclosed
US-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-10-10 US disclosed
US-5494750-A HYDROSILATION WITH PLATINUM CATALYST AND RETARDING AGENT ENCAPSULATED BY SILICONE FOR EXCELLENT STORAGE STABILITY SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-27 US disclosed
US-5085685-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-4871868-A FROM AN ORGANIC HALIDE OR AN ARYL SULFONATE AND AN ALKALI METAL ACETYLIDE, 1,3-DIALKYL-2-IMIDAZOLIDINONE PROMOTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-03 US disclosed
EP-0284237-A1 Production of substituted acetylenic compounds Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed
US-4670186-A Acid inhibitor composition PETROLITE CORPORATION (US) 1987-06-02 US disclosed
EP-0007828-B1 PROCESS FOR PREPARING ALKYL ESTERS OF DL-CIS CHRYSANTHEMIC ACID ROUSSEL-UCLAF (FR) 1981-11-04 EP disclosed
US-4233129-A Process of preparation of alkyl esters of dl cis chrysanthemic acid ROUSSEL UCLAF (FR) 1980-11-11 US disclosed
EP-0007828-A1 Process for preparing alkyl esters of dl-cis chrysanthemic acid ROUSSEL-UCLAF (FR) 1980-02-06 EP disclosed
US-3989601-A TERTIARY ALCOHOLS, MONOCARBOXYLIC ACIDS AND ANHYDRIDES THE DOW CHEMICAL COMPANY (US) 1976-11-02 US disclosed