⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10932718 | 0.89 | — | — | |
| SCHEMBL11255714 | 0.72 | — | — | |
| SCHEMBL29025781 | 0.70 | — | — | |
| SCHEMBL28769079 | 0.69 | — | — | |
| SCHEMBL9980882 | 0.69 | — | — | |
| SCHEMBL28848752 | 0.67 | — | — | |
| SCHEMBL16860645 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL11524830 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL29066896 | 0.65 | — | — | |
| SCHEMBL7405800 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4330366-A | Process for the preparation of halogenated benzoyl fluorides | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-18 | — | — | US | disclosed |