⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5711516 | 0.93 | HTR1A (0.31) | — | |
| SCHEMBL10879356 | 0.91 | HTR1A (0.32) | — | |
| SCHEMBL10879347 | 0.91 | HTR1A (0.32) | — | |
| SCHEMBL7057319 | 0.91 | HTR1A (0.32) | — | |
| SCHEMBL406037 | 0.86 | — | — | |
| SCHEMBL8665498 | 0.82 | — | — | |
| SCHEMBL17472530 | 0.79 | — | — | |
| SCHEMBL28548213 | 0.76 | HIF1A (0.32) | — | |
| SCHEMBL100569 | 0.76 | — | — | |
| SCHEMBL9413152 | 0.76 | — | — |
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-20190280223-A1 | DIBENZO[D,B]SILOLE-BASED REACTIVE MESOGENS | LOMOX LIMITED (GB) | 2019-09-12 | — | — | US | disclosed |
| EP-1022266-B1 | Process for the production of secondary alkoxy-1-alkenes | CREANOVA INC (US) | 2003-05-14 | — | — | EP | disclosed |
| US-6235944-B1 | REACTION OF KETONE WITH ORTHOFORMATE ESTER AND ALKANOL, ACID CATALYST, AGITATION AND RECOVERING SECONDARY ALKOXY-1-ALKENE | CREANOVA INC. | 2001-05-22 | — | — | US | disclosed |
| EP-1022266-A1 | Process for the production of secondary alkoxy-1-alkenes | Creanova Inc. (US) | 2000-07-26 | — | — | EP | disclosed |
| US-4013709-A | REACTION OF ENOL ETHER WITH HYDROGEN PEROXIDE, BORON CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1977-03-22 | — | — | US | disclosed |
| US-4001303-A | BORON COMPOUND; COMPOUNDS, 5; COMPOUNDS, 6; CATALYSTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | disclosed |