⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1042005 | 0.80 | KDM1A (0.32) | — | |
| SCHEMBL13030164 | 0.75 | CA1 (0.35) | — | |
| SCHEMBL29775040 | 0.75 | CA1 (0.35) | — | |
| SCHEMBL1756490 | 0.72 | CYP3A4 (0.40) | — | |
| SCHEMBL31711747 | 0.71 | CA1 (0.36) | — | |
| SCHEMBL7702552 | 0.69 | CA1 (0.43) | — | |
| SCHEMBL41646 | 0.69 | CA1 (0.43) | — | |
| SCHEMBL18167032 | 0.68 | — | — | |
| SCHEMBL11235681 | 0.68 | CYP3A4 (0.40) | — | |
| SCHEMBL27498995 | 0.68 | — | — |
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-6248265-B1 | Clean generation of a fluoroaryl grignard reagent | ALBEMARLE CORPORATION | 2001-06-19 | — | — | US | disclosed |