⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL513049 | 0.86 | — | — | |
| SCHEMBL9294829 | 0.82 | — | — | |
| SCHEMBL27614316 | 0.80 | — | — | |
| SCHEMBL28176673 | 0.80 | — | — | |
| SCHEMBL27513464 | 0.78 | — | — | |
| SCHEMBL27206851 | 0.78 | — | — | |
| SCHEMBL27768935 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL1369672 | 0.77 | — | — | |
| SCHEMBL272541 | 0.76 | — | — | |
| SCHEMBL23704657 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017051435-A1 | CHLORIN BASED COMPOUNDS, A PROCESS FOR PREPARATION THEREOF AND USE AS PHOTODYNAMIC THERAPEUTIC AGENTS AND FLUORESCENT PROBES | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2017-03-30 | — | — | WO | disclosed |