⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32136 | 1.00 | — | — | |
| SCHEMBL8571594 | 1.00 | — | — | |
| SCHEMBL11588306 | 1.00 | — | — | |
| SCHEMBL1244663 | 1.00 | — | — | |
| SCHEMBL2391172 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL6755368 | 0.82 | — | — | |
| SCHEMBL6684971 | 0.82 | — | — | |
| Water SCHEMBL1550233 | 0.82 | — | — | |
| SCHEMBL1491983 | 0.82 | — | — | |
| SCHEMBL9128608 | 0.82 | — | — |
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-5834608-A | HEATING AND REACTING PHTHALIC ACID OR DERIVATIVE, UREA OR DERIVATIVE, COPPER OR COPPER COMPOUND AND SULFUR IN THE PRESENCE OF MOLYBDENUM OR MOLYBDENUM COMPOUND AS CATALYST; SULFUR REDUCES IMPURITIES | KAWASAKI KASEI CHEMICALS LTD. (JP) | 1998-11-10 | — | — | US | disclosed |