⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10721063 | 0.69 | — | — | |
| SCHEMBL28535531 | 0.69 | — | — | |
| SCHEMBL2790029 | 0.62 | — | — | |
| SCHEMBL697602 | 0.62 | — | — | |
| SCHEMBL179915 | 0.62 | — | — | |
| SCHEMBL95520 | 0.57 | — | — | |
| SCHEMBL107405 | 0.57 | — | — | |
| SCHEMBL11684323 | 0.57 | — | — | |
| SCHEMBL3699141 | 0.57 | — | — | |
| SCHEMBL23621 | 0.57 | — | — |
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-4431755-A | Rubber composition comprising phyllosilicate minerals, silanes, and quaternary ammonium salts | STANDARD OIL COMPANY (INDIANA) (US) | 1984-02-14 | — | — | US | disclosed |
| EP-0099710-A1 | Rubber composition | AMOCO CORPORATION (US) | 1984-02-01 | — | — | EP | disclosed |
| US-4400485-A | SILICATE FILLER, ORGANOSILANE, MULTIFUNCTIONAL AMINE | STANDARD OIL COMPANY (INDIANA) (US) | 1983-08-23 | — | — | US | disclosed |