⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1569412 | 0.73 | GABRA1 (0.32) | — | |
| SCHEMBL17240318 | 0.65 | GSK3B (0.30) | — | |
| SCHEMBL917122 | 0.65 | — | — | |
| SCHEMBL2822587 | 0.64 | MAPT (0.40) | — | |
| SCHEMBL19355006 | 0.63 | — | — | |
| SCHEMBL1264442 | 0.62 | — | — | |
| SCHEMBL5021036 | 0.61 | AHR (0.35) | — | |
| SCHEMBL2579167 | 0.61 | — | — | |
| SCHEMBL9902129 | 0.61 | — | — | |
| SCHEMBL3188614 | 0.61 | — | — |
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-5126461-A | Silica in organic solution | SHELL RESEARCH LIMITED (GB) | 1992-06-30 | — | — | US | disclosed |
| US-5120861-A | DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS | SHELL RESEARCH LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| EP-0432817-A1 | Diazirine derivatives of aromatic heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |
| EP-0432818-A2 | Process for opening cyclopropane rings | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |