⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9707369 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL10371886 | 0.73 | — | — | |
| SCHEMBL2159026 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL821855 | 0.68 | — | — | |
| SCHEMBL11702792 | 0.68 | — | — | |
| Hydrazine SCHEMBL1572402 | 0.66 | KDM1A (0.30) | — | |
| SCHEMBL5378612 | 0.66 | — | — | |
| SCHEMBL15466836 | 0.64 | — | — | |
| SCHEMBL28181665 | 0.62 | CYP19A1 (0.33) | — | |
| SCHEMBL486034 | 0.61 | ESR1 (0.36) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4341906-A | ANALGESICS | PFIZER INC. (US) | 1982-07-27 | — | — | US | disclosed |
| US-4310669-A | TETRALONE | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4310668-A | Intermediates to 1,9-dihydroxyoctahydrophenanthrenes | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4310529-A | ANALGESICS | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4270005-A | ANALGESICS | PFIZER INC. (US) | 1981-05-26 | — | — | US | disclosed |
| US-4268523-A | ANALGESICS | PFIZER INC. (US) | 1981-05-19 | — | — | US | disclosed |
| US-4268692-A | ANALGESICS | PFIZER INC. (US) | 1981-05-19 | — | — | US | disclosed |
| US-4237133-A | ANALGESICS | PFIZER INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4188495-A | 1,9-Dihydroxyoctahydrophenanthrenes and intermediates therefor | PFIZER INC. (US) | 1980-02-12 | — | — | US | disclosed |