SCHEMBL4134939

SCHEMBL4134939

CCCCC(C)C#CO

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
SCHEMBL28783023 0.91 SPHK1 (0.43)
SCHEMBL31112701 0.91 SPHK1 (0.43)
SCHEMBL5068321 0.91 SPHK1 (0.43)
SCHEMBL21218968 0.91 SPHK1 (0.43)
SCHEMBL29678590 0.84 DNM1 (0.41)
SCHEMBL28182600 0.79 DNM1 (0.38)
SCHEMBL1101648 0.77
SCHEMBL8603359 0.77
SCHEMBL21367093 0.75
SCHEMBL4134938 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025228901-A2 BIOCATALYTIC PROCESS FOR THE PRODUCTION OF AROMA CHEMICALS BASF SE (DE) 2025-11-06 WO disclosed
US-10865275-B2 Copolymerization of carbon dioxide and cyclic monomers to form polycarbonates KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2020-12-15 US disclosed
US-10442892-B2 Copolymerization of carbon dioxide and cyclic monomers to form polycarbonates KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-10-15 US disclosed
US-20180051134-A1 COPOLYMERIZATION OF CARBON DIOXIDE AND CYCLIC MONOMERS TO FORM POLYCARBONATES KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2018-02-22 US disclosed
US-20090192153-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-07-30 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
US-20090099216-A1 NOVEL ADENINE COMPOUND ASTRAZENECA AKTIEBOLAG A CORPORATION OF SWEDEN (SE) 2009-04-16 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939198-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939200-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939201-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed