⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12727574 | 0.62 | — | — | |
| SCHEMBL16809936 | 0.62 | — | — | |
| SCHEMBL11071355 | 0.61 | — | — | |
| SCHEMBL12727575 | 0.61 | — | — | |
| SCHEMBL21499692 | 0.59 | — | — | |
| SCHEMBL11070691 | 0.59 | — | — | |
| SCHEMBL7977394 | 0.59 | — | — | |
| SCHEMBL19723520 | 0.59 | — | — | |
| SCHEMBL4031891 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL8890060 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106800580-B | Sterol derivative and preparation method and application thereof | 中国药科大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106800580-A | Sterol derivative and preparation method and application thereof | 中国药科大学 | 2017-06-06 | — | — | CN | disclosed |
| US-20070087447-A1 | System and method of free radical initiated protein sequencing | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2007-04-19 | — | — | US | disclosed |
| US-20050136180-A1 | Method of coating a substrate with a fluoropolymer | 3M INNOVATIVE PROPERTIES COMPANY | 2005-06-23 | — | — | US | disclosed |