⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27987369 | 0.82 | — | — | |
| SCHEMBL3318032 | 0.82 | — | — | |
| SCHEMBL27953368 | 0.82 | — | — | |
| SCHEMBL1926776 | 0.82 | — | — | |
| SCHEMBL308470 | 0.82 | — | — | |
| SCHEMBL27769438 | 0.82 | — | — | |
| SCHEMBL9245385 | 0.82 | — | — | |
| Water SCHEMBL6950940 | 0.67 | — | — | |
| SCHEMBL3901497 | 0.67 | — | — | |
| SCHEMBL8137688 | 0.67 | — | — |
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-6458970-B1 | CATALYTIC GAS-PHASE OXIDATION OF O-XYLENE OR NAPHTHALENE OR O-XYLENE/NAPHTHALENE MIXTURES WITH A GAS COMPRISING MOLECULAR OXYGEN OVER A COATED CATALYST COMPRISING AN INERT, NONPOROUS SUPPORT MATERIAL ON WHICH A CATALYTICALLY ACTIVE TITANIUM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-01 | — | — | US | disclosed |