SCHEMBL9354593

SCHEMBL9354593

C=CCOOC(C)(C)CCC

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
SCHEMBL9354437 0.89
SCHEMBL9354519 0.82 ALDH1A1 (0.36)
Butane SCHEMBL9782292 0.77 TSHR (0.32)
SCHEMBL9054685 0.77 TSHR (0.32)
SCHEMBL9354691 0.76
SCHEMBL25202065 0.75
SCHEMBL22848 0.74
SCHEMBL7685260 0.73 LMNA (0.31)
SCHEMBL28439821 0.73
SCHEMBL96705 0.72 TSHR (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322945-B1 Modification of (co)polymers employing organic peroxides AKZO NOBEL NV (NL) 1994-11-02 EP claimed
US-5037892-A Epoxidation Of Olefin Polymers AKZO N.V. (NL) 1991-08-06 US claimed
EP-0322945-A1 Modification of (co)polymers employing organic peroxides Akzo Nobel N.V. (NL) 1989-07-05 EP claimed
EP-0322945-B1 Modification of (co)polymers employing organic peroxides AKZO NOBEL NV (NL) 1994-11-02 EP disclosed
US-5202386-A Adhesion to polar material AKZO NV (NL) 1993-04-13 US disclosed
US-5037892-A Epoxidation Of Olefin Polymers AKZO N.V. (NL) 1991-08-06 US disclosed
EP-0322945-A1 Modification of (co)polymers employing organic peroxides Akzo Nobel N.V. (NL) 1989-07-05 EP disclosed