⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28320381 | 0.73 | — | — | |
| SCHEMBL3999920 | 0.69 | TSHR (0.53) | — | |
| SCHEMBL10693612 | 0.68 | — | — | |
| SCHEMBL267348 | 0.67 | — | — | |
| SCHEMBL10690744 | 0.67 | — | — | |
| SCHEMBL7979915 | 0.67 | — | — | |
| SCHEMBL10694900 | 0.67 | — | — | |
| SCHEMBL8935667 | 0.66 | TSHR (0.38) | — | |
| SCHEMBL9413686 | 0.64 | — | — | |
| SCHEMBL6057144 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0933398-B1 | Process for the production of RTV organopolysiloxane compositions | SHINETSU CHEMICAL CO (JP) | 2004-04-07 | — | — | EP | disclosed |
| US-6214930-B1 | ONE-PACKAGE ROOM TEMPERATURE VULCANIZATION | SHIN-ETSU CHEMICAL COL, LTD. (JP) | 2001-04-10 | — | — | US | disclosed |
| EP-0933398-A2 | Process for the production of RTV organopolysiloxane compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-08-04 | — | — | EP | disclosed |