⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27955121 | 1.00 | EPHX1 (0.50) | — | |
| SCHEMBL25936010 | 0.79 | EPHX1 (0.46) | — | |
| SCHEMBL20783175 | 0.79 | EPHX1 (0.46) | — | |
| SCHEMBL20368700 | 0.79 | EPHX1 (0.46) | — | |
| SCHEMBL5909406 | 0.78 | EPHX1 (0.73) | — | |
| SCHEMBL7518935 | 0.78 | EPHX1 (0.73) | — | |
| SCHEMBL7513715 | 0.78 | EPHX1 (0.73) | — | |
| SCHEMBL7511253 | 0.78 | EPHX1 (0.73) | — | |
| SCHEMBL6838885 | 0.78 | EPHX1 (0.73) | — | |
| SCHEMBL331550 | 0.78 | EPHX1 (0.73) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1028991-C | Tetrahydronaphthalene derivatives | HOFFMANN LA ROCHE (CH) | 1995-06-21 | — | — | CN | disclosed |
| CN-87107875-A | TETRAHYDRONAPHTHALENE DERIVATIVES | — | 1988-05-25 | — | — | CN | disclosed |