⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22097676 | 0.79 | — | — | |
| SCHEMBL38494 | 0.75 | — | — | |
| SCHEMBL759891 | 0.72 | — | — | |
| SCHEMBL8284153 | 0.72 | — | — | |
| SCHEMBL28146625 | 0.69 | — | — | |
| SCHEMBL17226361 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL15561475 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2214173 | 0.69 | — | — | |
| SCHEMBL6586016 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7446780 | 0.67 | — | — |
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-3933794-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |