⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL918758 | 0.84 | PIK3CD (0.31) | — | |
| SCHEMBL9706974 | 0.73 | — | — | |
| SCHEMBL14731953 | 0.68 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL1187811 | 0.67 | HSP90AB1 (0.38) | — | |
| SCHEMBL11503355 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL28585895 | 0.66 | MEN1 (0.48) | — | |
| SCHEMBL9709615 | 0.65 | DAO (0.33) | — | |
| SCHEMBL8638891 | 0.65 | ACHE (0.34) | — | |
| SCHEMBL10359721 | 0.65 | KEAP1 (0.36) | — | |
| SCHEMBL28586110 | 0.65 | — | — |
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-0004753-A1 | Preparation of tetrahydrobenzoxocins and cis-hexahydrodibenzopyranones | ELI LILLY AND COMPANY (US) | 1979-10-17 | — | — | EP | claimed |
| US-4599327-A | NONHABIT-FORMING ANALGESICS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) | 1986-07-08 | — | — | US | disclosed |
| EP-0004753-A1 | Preparation of tetrahydrobenzoxocins and cis-hexahydrodibenzopyranones | ELI LILLY AND COMPANY (US) | 1979-10-17 | — | — | EP | disclosed |