⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28396272 | 0.80 | — | — | |
| SCHEMBL27776717 | 0.75 | — | — | |
| SCHEMBL28941 | 0.73 | — | — | |
| SCHEMBL10965452 | 0.73 | — | — | |
| SCHEMBL339702 | 0.73 | — | — | |
| SCHEMBL9845719 | 0.73 | — | — | |
| SCHEMBL1922884 | 0.71 | — | — | |
| SCHEMBL1922119 | 0.71 | — | — | |
| Dichlorodifluoromethane SCHEMBL11379085 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL2393376 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0251184-A2 | Process for the manufacture of spheroidal bodies by selective agglomeration | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1988-01-07 | — | — | EP | disclosed |