⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5387181 | 0.74 | — | — | |
| SCHEMBL7811624 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL7807225 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL7149985 | 0.68 | MAPT (0.37) | — | |
| SCHEMBL8898486 | 0.68 | HTR7 (0.33) | — | |
| SCHEMBL7202470 | 0.65 | HTR7 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3271300 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7167465 | 0.63 | — | — | |
| SCHEMBL17386685 | 0.62 | MAPK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7644118 | 0.62 | MTNR1A (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1170313-B1 | CROSS-COPOLYMERIZED OLEFIN/STYRENE/DIENE COPOLYMER, PROCESS FOR THE PRODUCTION OF THE SAME AND USES THEREOF | DENKI KAGAKU KOGYO KK (JP) | 2010-06-02 | — | — | EP | disclosed |