SCHEMBL28497682

SCHEMBL28497682

CC(C)N(C(=O)[O-])C(C)C.CC(C)N(C(=O)[O-])C(C)C.CC(C)N(C(=O)[O-])C(C)C.[Co+3]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.33
CA2 P00918 1/20 0.33
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL150600 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL28502525 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL8733058 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL672964 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL638832 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL673527 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL8386959 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL672962 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL673948 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4
SCHEMBL673151 0.94 CA1 (0.33) CA1CA2P2RX1P2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112048111-B Process for preparing blends of cis-1, 4-polybutadiene and syndiotactic 1, 2-polybutadiene 株式会社普利司通 2022-12-02 CN disclosed
CN-112048111-A Process for preparing blends of cis-1, 4-polybutadiene and syndiotactic 1, 2-polybutadiene 株式会社普利司通 2020-12-08 CN disclosed