⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17172 | 0.97 | — | — | |
| SCHEMBL16243842 | 0.97 | — | — | |
| Fluoride SCHEMBL11098779 | 0.97 | — | — | |
| SCHEMBL17574479 | 0.97 | — | — | |
| Iodide SCHEMBL8507817 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL642878 | 0.95 | — | — | |
| Bromide SCHEMBL9398215 | 0.95 | — | — | |
| Water SCHEMBL6570674 | 0.95 | — | — | |
| Oxirane SCHEMBL8386893 | 0.92 | MEN1 (0.39) | — | |
| SCHEMBL28706385 | 0.88 | — | — |
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-20080200727-A1 | Method for Producing an Amine | BASF AKTIENGESELLSCHAFT (DE) | 2008-08-21 | — | — | US | disclosed |