⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15318467 | 0.56 | — | — | |
| SCHEMBL9977112 | 0.56 | — | — | |
| SCHEMBL7049622 | 0.56 | — | — | |
| SCHEMBL49945 | 0.50 | — | — | |
| SCHEMBL11648855 | 0.47 | — | — | |
| SCHEMBL76286 | 0.47 | — | — | |
| SCHEMBL171071 | 0.47 | — | — | |
| SCHEMBL10015722 | 0.47 | — | — | |
| Ethane SCHEMBL6550234 | 0.45 | — | — | |
| SCHEMBL9227174 | 0.45 | — | — |
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-2342354-B1 | MOLECULAR CLASSIFIER FOR EVALUATING THE RISK OF METASTASIC RELAPSE IN BREAST CANCER | FÉDÉRATION NATIONALE DES CT S DE LUTTE CONTRE LE CANCER (FR) | 2015-02-11 | — | — | EP | disclosed |