⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8529011 | 1.00 | — | — | |
| SCHEMBL18975695 | 0.71 | — | — | |
| SCHEMBL14773235 | 0.71 | — | — | |
| SCHEMBL8526618 | 0.71 | — | — | |
| SCHEMBL8526615 | 0.71 | — | — | |
| SCHEMBL19883236 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL22575233 | 0.69 | — | — | |
| SCHEMBL15161810 | 0.67 | — | — | |
| SCHEMBL16127547 | 0.67 | — | — | |
| SCHEMBL14401647 | 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-5153245-A | With ammonium or amine phosphates or phosphonates and 2,4-diamino-6-hydroxy-s-traizine derivative | MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGIC (IT) | 1992-10-06 | — | — | US | disclosed |