⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27309628 | 0.96 | ALOX15 (0.61) | — | |
| SCHEMBL10715675 | 0.96 | ALOX15 (0.61) | — | |
| SCHEMBL5514 | 0.96 | — | — | |
| SCHEMBL27567995 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL27957961 | 0.93 | — | — | |
| Benzene SCHEMBL9823128 | 0.90 | CA12 (0.53) | — | |
| Ethylene SCHEMBL27784145 | 0.90 | HSD17B10 (0.53) | — | |
| SCHEMBL566090 | 0.87 | ESR1 (0.69) | — | |
| Formaldehyde SCHEMBL9616523 | 0.87 | CA1 (0.50) | — | |
| Potassium Chloride SCHEMBL28808021 | 0.87 | ALOX15 (0.50) | — |
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-4124749-A | Aryl mercury containing polymers | ALLIED CHEMICAL CORPORATION (US) | 1978-11-07 | — | — | US | disclosed |