SCHEMBL8854569

SCHEMBL8854569

[CH2]/C(=C/CCC)OC

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
SCHEMBL22207074 1.00
SCHEMBL22207072 0.80 EP300 (0.47)
SCHEMBL28071891 0.74
SCHEMBL23706368 0.73
SCHEMBL7576376 0.72
SCHEMBL20705369 0.72
SCHEMBL232643 0.71
SCHEMBL232642 0.71
SCHEMBL22551040 0.71
SCHEMBL3815138 0.70 BACE1 (0.32)

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
EP-0282547-A4 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN 1990-11-28 EP claimed
EP-0282547-A1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN. ADRIA LAB INC (US) 1988-09-21 EP claimed
WO-1988001866-A1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN ADRIA LABORATORIES, INC. (US) 1988-03-24 WO claimed
US-5646303-A Method for controlling emesis caused by chemotherapeutic agents and antiemetic agents useful therein PHARMACIA INC. (US) 1997-07-08 US disclosed
EP-0282547-A4 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN 1990-11-28 EP disclosed
EP-0282547-A1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN. ADRIA LAB INC (US) 1988-09-21 EP disclosed
US-4772459-A N-(PYRROLIDINYL-OR PIPERIDINYLALKYL) ETHER-SUBSTITUTED BENZAMIDES ERBAMONT, INC. (US) 1988-09-20 US disclosed
WO-1988001866-A1 METHOD FOR CONTROLLING EMESIS CAUSED BY CHEMOTHERAPEUTIC AGENTS AND ANTIEMETIC AGENTS USEFUL THEREIN ADRIA LABORATORIES, INC. (US) 1988-03-24 WO disclosed