⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9011534 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7635435 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL716969 | 0.67 | — | — | |
| SCHEMBL8150380 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL8463348 | 0.62 | — | — | |
| SCHEMBL23854469 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL8465233 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL8465601 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL8464270 | 0.60 | — | — | |
| SCHEMBL28069053 | 0.58 | — | — |
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-5510502-A | COORDINATION CATALYSTS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-04-23 | — | — | US | disclosed |