⚠ 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 SCHEMBL23277170 | 0.87 | EPHX1 (0.46) | — | |
| SCHEMBL456029 | 0.83 | ALOX15 (0.45) | — | |
| SCHEMBL6363369 | 0.81 | — | — | |
| SCHEMBL28287435 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL339968 | 0.80 | — | — | |
| SCHEMBL4327873 | 0.80 | — | — | |
| SCHEMBL3286949 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL7565770 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL459491 | 0.75 | TSHR (0.45) | — | |
| SCHEMBL28953131 | 0.74 | EPHX1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012064703-A1 | DOPO-DERIVED FLAME RETARDANT AND SYNTHETIC HYDROGARNETS FOR EPOXY RESIN COMPOSITIONS | ALBEMARLE CORPORATION (US) | 2012-05-18 | — | — | WO | disclosed |