SCHEMBL4330872

SCHEMBL4330872

CC[C@@H](C)CCC(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
SCHEMBL17953992 1.00
SCHEMBL7543820 1.00
SCHEMBL408474 1.00
SCHEMBL16090839 0.91 BLM (0.41)
SCHEMBL19870466 0.91 BLM (0.41)
SCHEMBL16090845 0.91 BLM (0.41)
SCHEMBL16090846 0.91 BLM (0.41)
SCHEMBL1783656 0.88 ALDH1A1 (0.39)
SCHEMBL1785759 0.85 ALDH1A1 (0.41)
SCHEMBL1781561 0.83 PAOX (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234414-A Nut butter imitation produced from separate components 航行食品股份有限公司 2024-06-21 CN claimed
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
EP-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP disclosed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2006092692-A1 USE OF COMBINATIONS OF PDE7 INHIBITORS AND ALPHA-2-DELTY LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO disclosed