⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| P-Xylene SCHEMBL11770184 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL771 | 0.94 | — | — | |
| P-Xylene SCHEMBL11772917 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL460348 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL7526278 | 0.89 | — | — | |
| P-Xylene SCHEMBL461064 | 0.89 | ACHE (0.89) | — | |
| P-Xylene SCHEMBL20873607 | 0.89 | — | — | |
| P-Xylene SCHEMBL21270023 | 0.89 | — | — | |
| P-Xylene SCHEMBL1508153 | 0.89 | ACHE (0.89) | — | |
| P-Xylene SCHEMBL9119408 | 0.89 | ACHE (0.89) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105873976-B | Modifying epoxy resin by organosilicon and combinations thereof and solidfied material | 信越化学工业株式会社 | 2018-07-03 | — | — | CN | disclosed |
| CN-107526250-A | Blue-colored resin combination, colored filter, solid-state imager | 日本化药株式会社 | 2017-12-29 | — | — | CN | disclosed |
| CN-106133020-A | Modifying epoxy resin by organosilicon and containing the compositions of this epoxy resin and solidfied material thereof | 信越化学工业株式会社 | 2016-11-16 | — | — | CN | disclosed |