SCHEMBL20527653

SCHEMBL20527653

O=C1OCCCCC1C1CO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL10715845 0.84 CA1 (0.40) CA1CA9
SCHEMBL8523479 0.82 CA1 (0.39) CA1CA9
SCHEMBL16802426 0.79 MAPT (0.33)
SCHEMBL17503455 0.77 ALDH1A1 (0.32) CA1CA9
SCHEMBL10366827 0.77 CA1 (0.34) CA1CA9
SCHEMBL27458887 0.77 CA1 (0.34) CA1CA9
SCHEMBL17511201 0.76 CA1 (0.45) CA1CA9
SCHEMBL11868988 0.74 CA1 (0.31) CA1CA9
SCHEMBL19293454 0.74
SCHEMBL13304667 0.74 CA1 (0.31) CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10899878-B2 Phosphorus-containing caprolactone monomers for synthesis of flame retardant polycaprolactones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-01-26 US disclosed
US-10640608-B2 Phosphorus-containing caprolactone monomers for synthesis of flame retardant polycaprolactones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-05-05 US disclosed
US-20190248955-A1 PHOSPHORUS-CONTAINING CAPROLACTONE MONOMERS FOR SYNTHESIS OF FLAME RETARDANT POLYCAPROLACTONES INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-08-15 US disclosed
US-10336861-B2 Phosphorus-containing caprolactone monomers for synthesis of flame retardant polycaprolactones INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-07-02 US disclosed
US-20180291143-A1 PHOSPHORUS-CONTAINING CAPROLACTONE MONOMERS FOR SYNTHESIS OF FLAME RETARDANT POLYCAPROLACTONES INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-10-11 US disclosed