⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21351076 | 1.00 | — | — | |
| SCHEMBL6274547 | 0.82 | KISS1R (0.33) | — | |
| SCHEMBL15934167 | 0.77 | — | — | |
| SCHEMBL879244 | 0.76 | — | — | |
| SCHEMBL152642 | 0.76 | — | — | |
| SCHEMBL879230 | 0.76 | — | — | |
| SCHEMBL5907063 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL6239009 | 0.75 | — | — | |
| Water SCHEMBL10587989 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5330517 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3227307-B1 | MACROMOLECULAR TRANSITION METAL COMPLEXES FOR TREATMENT OF CANCER AND PROCESS FOR THEIR PREPARATION | FACULDADE DE CIENCIAS DA UNIV DE LISBOA (PT) | 2020-10-21 | — | — | EP | disclosed |