⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9856495 | 1.00 | — | — | |
| SCHEMBL19145839 | 1.00 | — | — | |
| SCHEMBL15827935 | 0.87 | — | — | |
| SCHEMBL9856366 | 0.78 | — | — | |
| SCHEMBL9856369 | 0.78 | — | — | |
| SCHEMBL13173441 | 0.78 | — | — | |
| SCHEMBL14943238 | 0.78 | — | — | |
| SCHEMBL24862269 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL18932271 | 0.74 | — | — | |
| SCHEMBL9856455 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5001199-A | Selective hydrogenation process | SHELL OIL COMPANY (US) | 1991-03-19 | — | — | US | disclosed |
| US-4879349-A | CONJUGATED OLEFIN POLYMER | SHELL OIL COMPANY (US) | 1989-11-07 | — | — | US | disclosed |
| EP-0315280-A2 | Selective hydrogenation process | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-05-10 | — | — | EP | disclosed |