⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25599584 | 0.74 | — | — | |
| SCHEMBL7578021 | 0.74 | — | — | |
| SCHEMBL820287 | 0.74 | DRD3 (0.46) | — | |
| SCHEMBL12917822 | 0.74 | — | — | |
| SCHEMBL16502291 | 0.74 | — | — | |
| SCHEMBL12030765 | 0.71 | KDM5B (0.40) | — | |
| SCHEMBL12026490 | 0.69 | KDM5B (0.32) | — | |
| SCHEMBL6989197 | 0.68 | TSHR (0.49) | — | |
| SCHEMBL15458209 | 0.68 | KDM5B (0.32) | — | |
| SCHEMBL820170 | 0.67 | DRD3 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0417690-A2 | Aromatization process | OCCIDENTAL CHEMICAL CORPORATION (US) | 1991-03-20 | — | — | EP | claimed |
| US-4968830-A | HALOGENATIVE DEHYDROGENATION | OCCIDENTAL CHEMICAL CORPORATION (US) | 1990-11-06 | — | — | US | claimed |
| JP-3106829-A | — | — | None | — | — | JP | disclosed |
| JP-H03106829-A | PRODUCTION OF HALOGEN-SUBSTITUTED AROMATIC COMPOUND | OCCIDENTAL CHEM CORP | 1991-05-07 | — | — | JP | disclosed |