⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1813450 | 1.00 | — | — | |
| SCHEMBL1717671 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL1658898 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL1658897 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL1818519 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL1818517 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL9000033 | 0.70 | — | — | |
| SCHEMBL9000031 | 0.70 | — | — | |
| SCHEMBL1813771 | 0.70 | GAPDH (0.31) | — | |
| SCHEMBL1813769 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011528027-A | — | — | 2011-11-10 | — | — | JP | claimed |
| EP-2318428-A1 | ANTICANCER COMPOUNDS | Pharma Mar S.A. (ES) | 2011-05-11 | — | — | EP | claimed |
| US-20110105409-A1 | Anticancer Compounds | PHARMA MAR, S.A. (ES) | 2011-05-05 | — | — | US | claimed |
| WO-2010007147-A1 | ANTICANCER COMPOUNDS | PHARMA MAR, S.A. (ES) | 2010-01-21 | — | — | WO | claimed |
| EP-2318428-A1 | ANTICANCER COMPOUNDS | Pharma Mar S.A. (ES) | 2011-05-11 | — | — | EP | disclosed |
| US-20110105409-A1 | Anticancer Compounds | PHARMA MAR, S.A. (ES) | 2011-05-05 | — | — | US | disclosed |
| WO-2010007147-A1 | ANTICANCER COMPOUNDS | PHARMA MAR, S.A. (ES) | 2010-01-21 | — | — | WO | disclosed |