SCHEMBL4138101

SCHEMBL4138101

CCCC=C(CC)O[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
SCHEMBL4138099 1.00
SCHEMBL6724967 0.82
SCHEMBL6724973 0.82
SCHEMBL4129075 0.77
SCHEMBL4129074 0.77
SCHEMBL4130590 0.76
SCHEMBL4130591 0.76
SCHEMBL4138104 0.71 ALDH1A1 (0.36)
SCHEMBL21710230 0.70
SCHEMBL4144615 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0527378-B1 Salicyl(thio)ethers derivatives, process and intermediates for their preparation BASF AG (DE) 1996-02-28 EP disclosed
EP-0527380-B1 Salicylic acid derivatives, as selective herbicides BASF AG (DE) 1996-01-03 EP disclosed
US-5290755-A Plant growth regulators; fungicides BASF AKTIENGESELLSCHAFT (DE) 1994-03-01 US disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed
EP-0527378-A1 Salicyl(thio)ethers derivatives, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1993-02-17 EP disclosed
EP-0527380-A1 Salicylic acid derivatives, as selective herbicides BASF Aktiengesellschaft (DE) 1993-02-17 EP disclosed