SCHEMBL8632880

SCHEMBL8632880

N#CCC(CO)(CO)CBr

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL5087892 0.83 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL7883058 0.83 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL12123460 0.83 ALDH1A1 (0.35) ALDH1A1TSHR
Alcohol SCHEMBL11666408 0.76 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL2151901 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL229830 0.73
SCHEMBL942604 0.73
SCHEMBL399680 0.73
SCHEMBL13623250 0.69 ALDH1A1 (0.36) ALDH1A1
Bromide SCHEMBL8138714 0.67 ALDH1A1 (0.86) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678515-B1 Process and intermediates for the production of 5-oxaspiro [2.4] heptan-6-one LONZA AG (CH) 1998-07-08 EP claimed
US-5486622-A Process and intermediate products for the production of 5-oxaspiro [2.4]heptan-6-one LONZA LTD. (CH) 1996-01-23 US claimed
EP-0678515-A1 Process and intermediates for the production of 5-oxaspiro 2.4 heptan-6-one LONZA AG (CH) 1995-10-25 EP claimed
EP-0678515-B1 Process and intermediates for the production of 5-oxaspiro [2.4] heptan-6-one LONZA AG (CH) 1998-07-08 EP disclosed
US-5486622-A Process and intermediate products for the production of 5-oxaspiro [2.4]heptan-6-one LONZA LTD. (CH) 1996-01-23 US disclosed
EP-0678515-A1 Process and intermediates for the production of 5-oxaspiro 2.4 heptan-6-one LONZA AG (CH) 1995-10-25 EP disclosed