⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2696185 | 0.82 | CYP3A4 (0.31) | — | |
| SCHEMBL2699373 | 0.76 | — | — | |
| SCHEMBL2688983 | 0.76 | — | — | |
| SCHEMBL13782543 | 0.76 | — | — | |
| SCHEMBL9340047 | 0.73 | — | — | |
| SCHEMBL7729587 | 0.71 | XDH (0.34) | — | |
| SCHEMBL1485638 | 0.71 | NOS3 (0.33) | — | |
| SCHEMBL861711 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL1961975 | 0.71 | — | — | |
| SCHEMBL1962315 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0728040-B1 | METHOD OF PREPARING ISOMERIZATION CATALYST | EXXON CHEMICAL PATENTS INC (US) | 1999-01-20 | — | — | EP | disclosed |
| US-5624879-A | Method of preparing isomerization catalyst | EXXON CHEMICAL PATENTS INC. | 1997-04-29 | — | — | US | disclosed |
| US-5589602-A | Method of preparing isomerization catalyst | EXXON CHEMICAL PATENTS INC. | 1996-12-31 | — | — | US | disclosed |
| EP-0728040-A1 | METHOD OF PREPARING ISOMERIZATION CATALYST | EXXON CHEMICAL PATENTS INC. (US) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013136-A1 | METHOD OF PREPARING ISOMERIZATION CATALYST | EXXON CHEMICAL PATENTS INC. (US) | 1995-05-18 | — | — | WO | disclosed |