⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13413381 | 1.00 | — | — | |
| SCHEMBL8265625 | 1.00 | — | — | |
| SCHEMBL18726946 | 1.00 | — | — | |
| SCHEMBL2560705 | 1.00 | — | — | |
| SCHEMBL6886531 | 1.00 | — | — | |
| SCHEMBL9273942 | 0.97 | TSHR (0.50) | — | |
| SCHEMBL11037568 | 0.82 | TSHR (0.47) | — | |
| SCHEMBL14038079 | 0.82 | TSHR (0.47) | — | |
| SCHEMBL29623845 | 0.82 | TSHR (0.47) | — | |
| SCHEMBL29624067 | 0.82 | TSHR (0.47) | — |
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-2015089068-A1 | DEVICES AND METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OF FETAL CELLS | ANALIZA, INC. (US) | 2015-06-18 | — | — | WO | disclosed |