⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23469152 | 0.88 | GAA (0.32) | — | |
| Hydrochloric Acid SCHEMBL16874318 | 0.86 | GAA (0.31) | — | |
| SCHEMBL56375 | 0.83 | — | — | |
| SCHEMBL1352284 | 0.83 | — | — | |
| SCHEMBL56946 | 0.83 | — | — | |
| Methane SCHEMBL7933332 | 0.81 | GAA (0.33) | — | |
| SCHEMBL24760387 | 0.81 | GAA (0.33) | — | |
| SCHEMBL28546508 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL4599773 | 0.81 | GAA (0.33) | — | |
| Hydrochloric Acid SCHEMBL7213346 | 0.79 | CHRNB2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6296920-B1 | FOR GLASS AND COVERINGS FOR SHADING AND LIGHT/HEAT REGULATION HOUSES, CARS | EMS-CHEMIE AG (CH) | 2001-10-02 | — | — | US | disclosed |