⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7748767 | 0.81 | — | — | |
| SCHEMBL4312581 | 0.78 | — | — | |
| SCHEMBL9464760 | 0.76 | — | — | |
| SCHEMBL5701191 | 0.73 | — | — | |
| SCHEMBL11180882 | 0.69 | DNM1 (0.35) | — | |
| SCHEMBL27859686 | 0.67 | DNM1 (0.31) | — | |
| SCHEMBL31473071 | 0.67 | DNM1 (0.31) | — | |
| SCHEMBL5074868 | 0.64 | — | — | |
| SCHEMBL16335957 | 0.64 | — | — | |
| SCHEMBL27859876 | 0.64 | DNM1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5621060-A | MIXTURE OF POLYDIMETHYLSILOXANE END CAPPED WITH AMINO-ETHYL-AMINOPROPYLDIMETHYLSILANOL AND ORGANOTITANATE COMPOUND, APPLYING THE SELANT TO A SUBSTRATE, CURING THE PRIMER, APPLYING THIS ROOM TEMPERATURE VULCANIZABLE SELANT | GENERAL ELECTRIC COMPANY (US) | 1997-04-15 | — | — | US | disclosed |