⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28492291 | 0.86 | — | — | |
| SCHEMBL29195408 | 0.82 | — | — | |
| SCHEMBL5122025 | 0.81 | MEN1 (0.30) | — | |
| SCHEMBL4890569 | 0.81 | MEN1 (0.30) | — | |
| SCHEMBL21847231 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL10099742 | 0.76 | — | — | |
| SCHEMBL7183510 | 0.76 | — | — | |
| SCHEMBL15703784 | 0.76 | — | — | |
| SCHEMBL5458053 | 0.75 | — | — | |
| SCHEMBL4692096 | 0.74 | ALDH1A1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104610978-B | Liquid crystal compounds and liquid crystal medium containing same | 石家庄诚志永华显示材料有限公司 | 2017-01-25 | — | — | CN | disclosed |
| WO-2010023694-A2 | CRYSTALLINE FORMS OF GABAPENTIN AND PROCESS THEREOF | HIKAL LTD (IN) | 2010-03-04 | — | — | WO | disclosed |