⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29455057 | 0.97 | — | — | |
| SCHEMBL19628 | 0.97 | — | — | |
| Bromide SCHEMBL30665091 | 0.94 | — | — | |
| Iodide SCHEMBL27527166 | 0.94 | — | — | |
| Bromide SCHEMBL27489538 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL2867683 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3365191 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL15387433 | 0.94 | — | — | |
| Bromide SCHEMBL10383564 | 0.94 | — | — | |
| SCHEMBL28007338 | 0.94 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102131893-B | Remotely controlled energy transfer dye complexes | INBIO PROF JUERGEN BUEDDEFELD | 2014-03-26 | — | — | CN | disclosed |
| CN-102131893-A | Remotely controlled energy transfer dye complexes | INBIO PROF JUERGEN BUEDDEFELD | 2011-07-20 | — | — | CN | disclosed |