⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1332087 | 0.69 | — | — | |
| SCHEMBL20781 | 0.69 | — | — | |
| SCHEMBL30416292 | 0.65 | ALDH1A1 (0.89) | — | |
| SCHEMBL1163861 | 0.65 | ALDH1A1 (0.89) | — | |
| Lithium SCHEMBL30416555 | 0.65 | ALDH1A1 (0.89) | — | |
| Hydrochloric Acid SCHEMBL11176077 | 0.65 | ALDH1A1 (0.89) | — | |
| SCHEMBL31064887 | 0.65 | ALDH1A1 (0.89) | — | |
| SCHEMBL31212831 | 0.65 | ALDH1A1 (0.89) | — | |
| SCHEMBL28365800 | 0.65 | ALDH1A1 (0.89) | — | |
| Hydrochloric Acid SCHEMBL28513754 | 0.65 | ALDH1A1 (0.89) | — |
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-4189580-A | FROM A CARBOXYLIC ACID AND CYANOGEN CHLORIDE OR BROMIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1980-02-19 | — | — | US | disclosed |