SCHEMBL179477

SCHEMBL179477

CC(C)(C)C#CC(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
SCHEMBL190199 0.88 ALDH1A1 (0.33)
SCHEMBL4119428 0.78
SCHEMBL6257842 0.77
SCHEMBL417933 0.72 ALDH1A1 (0.41)
Acetic Acid SCHEMBL10352233 0.72 FFAR3 (0.47)
SCHEMBL9393616 0.72
SCHEMBL8962270 0.72 KMT2A (0.33)
SCHEMBL17061383 0.69 ALDH1A1 (0.37)
SCHEMBL2952417 0.69 CA2 (0.35)
SCHEMBL15197558 0.69 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230322732-A1 RIP1 Inhibitory Compounds and Methods for Making and Using the Same RIGEL PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230310454-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2023-10-05 US disclosed
US-20230265100-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-08-24 US disclosed
US-20230227469-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-07-20 US disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20100137262-A1 Low Calcemic, Highly Antiproliferative, Analogs of Calcitriol NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed