⚠ 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 SCHEMBL1617471 | 0.99 | — | — | |
| SCHEMBL2505649 | 0.81 | — | — | |
| SCHEMBL698267 | 0.81 | POLB (0.33) | — | |
| Hydrochloric Acid SCHEMBL3181440 | 0.80 | POLB (0.32) | — | |
| Hydrochloric Acid SCHEMBL1082130 | 0.80 | — | — | |
| SCHEMBL7204908 | 0.78 | — | — | |
| SCHEMBL6680909 | 0.78 | — | — | |
| SCHEMBL7168576 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL3677685 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6679040 | 0.77 | — | — |
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-6753378-B2 | GRAFTED WITH CARBOXYL- OR ANHYDRIDE CONTAINING COMPOUND; MELT PROCESSABILITY, CHEMICAL RESISTANCE, ELECTRICAL AND MECHANICAL PROPERTIES; INJECTION AND BLOW MOLDING; FILMS, SHEETS | MITSUI CHEMICALS, INC. (JP) | 2004-06-22 | — | — | US | disclosed |