⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7009024 | 0.80 | — | — | |
| SCHEMBL535002 | 0.79 | — | — | |
| SCHEMBL15301754 | 0.78 | — | — | |
| SCHEMBL219479 | 0.77 | — | — | |
| SCHEMBL6711951 | 0.74 | CHRM1 (0.31) | — | |
| SCHEMBL2230400 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL2008235 | 0.73 | — | — | |
| SCHEMBL224076 | 0.71 | OPRM1 (0.31) | — | |
| Cyclopropane SCHEMBL734325 | 0.71 | — | — | |
| SCHEMBL17296494 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104204011-B | Polymers, methods and compositions | 帝斯曼知识产权资产管理有限公司 | 2018-01-12 | — | — | CN | disclosed |
| CN-107406572-A | Containing silane group and based on the polyisocyanates of 1,5 2 isocyanato- pentanes | 科思创德国股份有限公司 | 2017-11-28 | — | — | CN | disclosed |
| EP-0664452-B1 | Biotin-silane compounds and binding matrix containing these compounds | ROCHE DIAGNOSTICS GMBH (DE) | 2002-07-31 | — | — | EP | disclosed |
| US-5851840-A | Biotinsilane compounds and a binding matrix containing these compounds | BOEHRINGER MANNHEIM GMBH (DE) | 1998-12-22 | — | — | US | disclosed |
| EP-0664452-A2 | Biotin-silane compounds and binding matrix containing these compounds | Roche Diagnostics GmbH (DE) | 1995-07-26 | — | — | EP | disclosed |