⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9722190 | 1.00 | — | — | |
| SCHEMBL13822427 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL19205512 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL10465674 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL127638 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL707980 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL704793 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL9563098 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL131295 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL27722864 | 0.67 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5096644-A | Process for making a filled metathesis polymer article | HERCULES INCORPORATED (US) | 1992-03-17 | — | — | US | disclosed |
| EP-0106047-B1 | OLEFINICALLY UNSATURATED SILOXANES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS REACTIVE DILUENTS IN RADICALLY CROSS-LINKABLE LACQUERING SYSTEMS | BAYER AG (DE) | 1985-10-23 | — | — | EP | disclosed |
| EP-0106047-A1 | Olefinically unsaturated siloxanes, process for their preparation and their use as reactive diluents in radically cross-linkable lacquering systems | BAYER AG (DE) | 1984-04-25 | — | — | EP | disclosed |