⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902874 | 0.75 | — | — | |
| SCHEMBL2956977 | 0.67 | — | — | |
| SCHEMBL3770577 | 0.63 | THRB (0.38) | — | |
| SCHEMBL5693178 | 0.62 | HSD17B10 (0.35) | — | |
| SCHEMBL6902877 | 0.62 | — | — | |
| SCHEMBL4090956 | 0.60 | — | — | |
| SCHEMBL11519651 | 0.60 | — | — | |
| SCHEMBL891293 | 0.60 | — | — | |
| SCHEMBL16449819 | 0.60 | — | — | |
| SCHEMBL10622312 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0239437-B1 | A ROOM TEMPERATURE-CURABLE ORGANOPOLYSILOXANE COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1993-07-28 | — | — | EP | disclosed |
| US-4735971-A | CONTAINING ISOPROPENYL OXYSILYL- AND MERCAPTOALKYL GROUPS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-04-05 | — | — | US | disclosed |
| EP-0239437-A2 | A room temperature-curable organopolysiloxane composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1987-09-30 | — | — | EP | disclosed |