⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27529067 | 0.85 | — | — | |
| SCHEMBL9308728 | 0.75 | — | — | |
| SCHEMBL51145 | 0.67 | — | — | |
| SCHEMBL9617830 | 0.67 | — | — | |
| SCHEMBL11763775 | 0.67 | — | — | |
| SCHEMBL27785739 | 0.66 | ALDH1A1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL278220 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL7103249 | 0.65 | — | — | |
| SCHEMBL1414615 | 0.64 | TSHR (0.45) | — | |
| SCHEMBL8029474 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008138363-A1 | NITROGEN-CONTAINING POLYETHER-POLYSILOXANE BLOCK COPOLYMERS, PROCESS FOR PREPARING THEM AND THEIR USE FOR ENHANCING THE SURFACE PROPERTIES OF FABRICS AND FIBRES | EVONIK GOLDSCHMIDT GMBH (DE) | 2008-11-20 | — | — | WO | claimed |
| JP-59172571-A | — | — | None | — | — | JP | disclosed |
| WO-2008138363-A1 | NITROGEN-CONTAINING POLYETHER-POLYSILOXANE BLOCK COPOLYMERS, PROCESS FOR PREPARING THEM AND THEIR USE FOR ENHANCING THE SURFACE PROPERTIES OF FABRICS AND FIBRES | EVONIK GOLDSCHMIDT GMBH (DE) | 2008-11-20 | — | — | WO | disclosed |
| JP-S59172571-A | ELECTRICALLY CONDUCTIVE ADHESIVE | HITACHI CHEM CO LTD | 1984-09-29 | — | — | JP | disclosed |