⚠ 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL21963402 | 0.82 | — | — | |
| Zinc Ion SCHEMBL346743 | 0.82 | — | — | |
| Zinc Ion SCHEMBL11539919 | 0.80 | — | — | |
| SCHEMBL30194791 | 0.77 | — | — | |
| SCHEMBL11453068 | 0.77 | — | — | |
| SCHEMBL11752354 | 0.77 | — | — | |
| Zinc Ion SCHEMBL2060006 | 0.77 | CTSA (0.30) | — | |
| SCHEMBL10579551 | 0.76 | — | — | |
| Zinc Ion SCHEMBL2216162 | 0.75 | LAP3 (0.34) | — | |
| Zinc Ion SCHEMBL3292438 | 0.75 | LAP3 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1036142-A1 | LUBRICATING COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999014292-A1 | LUBRICATING COMPOSITIONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1999-03-25 | — | — | WO | disclosed |
| US-4036768-A | TETRAPOLYMER OF THREE ALKYL METHACRYLATES AND ONE DIALKYLAMINOALKYL METHACRYLATE MONOMERS IN ALKYLBENZENE | TEXACO INC. (US) | 1977-07-19 | — | — | US | disclosed |