⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL765404 | 0.81 | — | — | |
| SCHEMBL12338941 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28992235 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28414630 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28091473 | 0.78 | — | — | |
| Phosphoric Acid SCHEMBL28152895 | 0.73 | LAP3 (0.36) | — | |
| SCHEMBL6472919 | 0.70 | — | — | |
| SCHEMBL30496483 | 0.68 | — | — | |
| SCHEMBL5872362 | 0.66 | — | — | |
| SCHEMBL8820593 | 0.66 | — | — |
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-20040071900-A1 | Binding substrate for inkjet inks | RAY GUSTAV ALLEN (US) | 2004-04-15 | — | — | US | claimed |
| US-20040071900-A1 | Binding substrate for inkjet inks | RAY GUSTAV ALLEN (US) | 2004-04-15 | — | — | US | disclosed |