⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6255041 | 0.75 | TDP1 (0.38) | — | |
| SCHEMBL12669515 | 0.74 | — | — | |
| SCHEMBL17107820 | 0.73 | HSD17B10 (0.31) | — | |
| SCHEMBL21081963 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL27923026 | 0.71 | — | — | |
| SCHEMBL13020896 | 0.71 | — | — | |
| SCHEMBL346676 | 0.71 | — | — | |
| SCHEMBL13020895 | 0.71 | — | — | |
| SCHEMBL14349795 | 0.70 | MGAM (0.37) | — | |
| SCHEMBL5889382 | 0.69 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8362237-B2 | Optical-isomer separating agent for chromatography and process for producing the same | NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) | 2013-01-29 | — | — | US | disclosed |
| US-20100292464-A1 | OPTICAL-ISOMER SEPARATING AGENT FOR CHROMATOGRAPHY AND PROCESS FOR PRODUCING THE SAME | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-11-18 | — | — | US | disclosed |