⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL454368 | 1.00 | — | — | |
| Butane SCHEMBL4765017 | 0.93 | — | — | |
| Butane SCHEMBL7055770 | 0.93 | — | — | |
| Butane SCHEMBL11374840 | 0.93 | TSHR (0.40) | — | |
| Butane SCHEMBL28269964 | 0.93 | — | — | |
| Butane SCHEMBL23567204 | 0.93 | — | — | |
| Butane SCHEMBL3593 | 0.91 | — | — | |
| Butane SCHEMBL8628663 | 0.91 | TSHR (0.50) | — | |
| Butane SCHEMBL9292387 | 0.91 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.91 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809568-B2 | Synthesis of silylacetylenes | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2014-08-19 | — | — | US | disclosed |
| US-8779179-B2 | Synthesis of silyl acetylenes | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130150606-A1 | SYNTHESIS OF SILYL ACETYLENES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2013-06-13 | — | — | US | disclosed |
| US-20130060059-A1 | SYNTHESIS OF SILYL ACETYLENES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2013-03-07 | — | — | US | disclosed |
| WO-2011150020-A1 | SYNTHESIS OF SILYL ACETYLENES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-2011149735-A1 | SYNTHESIS OF SILYL ACETYLENES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-12-01 | — | — | WO | disclosed |