⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9458268 | 0.88 | MAPT (0.32) | — | |
| SCHEMBL7523081 | 0.88 | PTPRC (0.34) | — | |
| SCHEMBL7522895 | 0.78 | PTPRC (0.37) | — | |
| SCHEMBL7525783 | 0.78 | LIG1 (0.38) | — | |
| SCHEMBL9458260 | 0.74 | MAPT (0.42) | — | |
| SCHEMBL4038710 | 0.73 | MEN1 (0.47) | — | |
| SCHEMBL7518056 | 0.69 | KDM4E (0.50) | — | |
| SCHEMBL7520175 | 0.68 | ESR1 (0.35) | — | |
| SCHEMBL7522889 | 0.65 | PTPRC (0.43) | — | |
| SCHEMBL7520477 | 0.65 | HTT (0.38) | — |
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-0506314-B1 | Process for preparing vinylically-unsaturated compounds | DOW CHEMICAL CO (US) | 2002-01-30 | — | — | EP | disclosed |
| US-5264646-A | Vinylation, benzocyclobutenes, polysiloxanes | THE DOW CHEMICAL COMPANY (US) | 1993-11-23 | — | — | US | disclosed |
| EP-0506314-A2 | Process for preparing vinylically-unsaturated compounds | THE DOW CHEMICAL COMPANY (US) | 1992-09-30 | — | — | EP | disclosed |