⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3167379 | 0.77 | — | — | |
| SCHEMBL11867634 | 0.73 | TAS2R38 (0.41) | — | |
| SCHEMBL10937518 | 0.73 | — | — | |
| SCHEMBL8661734 | 0.71 | — | — | |
| SCHEMBL356069 | 0.71 | — | — | |
| SCHEMBL21588011 | 0.71 | — | — | |
| SCHEMBL10290238 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10822779 | 0.69 | — | — | |
| SCHEMBL20850739 | 0.69 | — | — | |
| SCHEMBL414542 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993014065-A1 | PROCESS FOR PREPARING 1,3,5- TRIS(4'-HYDROXYPHENYL)BENZENE AND ITS DERIVATIVES | HOECHST CELANESE CORPORATION (US) | 1993-07-22 | — | — | WO | disclosed |
| US-4545802-A | PYRAZOLINE COMPOUNDS AS NITRIFICATION INHIBITORS OF NITROGEN FERTILIZERS | THE DOW CHEMICAL COMPANY (US) | 1985-10-08 | — | — | US | disclosed |