⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8088908 | 1.00 | — | — | |
| SCHEMBL35702 | 1.00 | — | — | |
| SCHEMBL16442207 | 0.83 | — | — | |
| SCHEMBL18566737 | 0.72 | — | — | |
| SCHEMBL10169107 | 0.72 | — | — | |
| SCHEMBL14943401 | 0.72 | — | — | |
| SCHEMBL14864854 | 0.72 | — | — | |
| SCHEMBL23135369 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL22641282 | 0.70 | — | — | |
| SCHEMBL21753282 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9296947-B2 | Plasma etching gas and plasma etching method | ZEON CORPORATION (JP) | 2016-03-29 | — | — | US | disclosed |
| US-20140306146-A1 | PLASMA ETCHING GAS AND PLASMA ETCHING METHOD | ZEON CORPORATION (JP) | 2014-10-16 | — | — | US | disclosed |
| 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 |