⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16151 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28361099 | 0.91 | — | — | |
| SCHEMBL28381689 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL7530272 | 0.91 | — | — | |
| Water SCHEMBL10715684 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL2866039 | 0.91 | — | — | |
| Iodide SCHEMBL11318588 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL10579978 | 0.91 | — | — | |
| Fluoride SCHEMBL29280321 | 0.91 | — | — | |
| Butane SCHEMBL11700496 | 0.87 | OPRM1 (0.33) | — |
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-6806289-B1 | SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-10-19 | — | — | US | disclosed |