⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7059859 | 0.88 | — | — | |
| SCHEMBL7111713 | 0.86 | — | — | |
| SCHEMBL1083333 | 0.86 | — | — | |
| SCHEMBL6836879 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL7077244 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL17255444 | 0.79 | — | — | |
| SCHEMBL7075028 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL1082593 | 0.76 | FDPS (0.33) | — | |
| SCHEMBL6787509 | 0.76 | LPAR3 (0.35) | — | |
| SCHEMBL7027674 | 0.76 | TSHR (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9222053-B2 | Lubricating composition | SHELL OIL COMPANY (US) | 2015-12-29 | — | — | US | disclosed |
| US-20120142568-A1 | LUBRICATING COMPOSITION | SHELL OIL COMPANY | 2012-06-07 | — | — | US | disclosed |
| US-20040204325-A1 | Transmission fluid compositions for automobiles | NIPPON OIL CORPORATION | 2004-10-14 | — | — | US | disclosed |
| US-20040192562-A1 | Lubricating oil composition | NIPPON OIL CORPORATION | 2004-09-30 | — | — | US | disclosed |