⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6807103 | 1.00 | — | — | |
| SCHEMBL8819731 | 1.00 | — | — | |
| SCHEMBL19622597 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL259161 | 0.74 | — | — | |
| SCHEMBL3760035 | 0.73 | — | — | |
| SCHEMBL3760025 | 0.73 | — | — | |
| SCHEMBL501200 | 0.71 | — | — | |
| SCHEMBL501201 | 0.71 | — | — | |
| SCHEMBL12423858 | 0.71 | — | — | |
| SCHEMBL662803 | 0.69 | — | — |
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-4101557-A | DEHYDROHALOGENATION | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-07-18 | — | — | US | disclosed |