⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13656356 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL841870 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL841265 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL13407591 | 0.77 | — | — | |
| SCHEMBL13106842 | 0.77 | PLA2G1B (0.35) | — | |
| SCHEMBL841818 | 0.76 | — | — | |
| SCHEMBL5949196 | 0.75 | PLA2G1B (0.31) | — | |
| SCHEMBL5948663 | 0.75 | PLA2G1B (0.36) | — | |
| SCHEMBL23192258 | 0.73 | PLA2G1B (0.33) | — | |
| SCHEMBL865544 | 0.73 | PLA2G1B (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150258068-A1 | COMBINATION THERAPIES | MEI PHARMA, INC. | 2015-09-17 | — | — | US | disclosed |
| US-8143282-B2 | Heterocyclic compounds | S*BIO PTE LTD. (SG) | 2012-03-27 | — | — | US | disclosed |
| US-20100098691-A1 | COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT | S'BIO PTE LTD (SG) | 2010-04-22 | — | — | US | disclosed |
| US-20090048300-A1 | Heterocyclic Compounds | S*BIO PTE LTD. (SG) | 2009-02-19 | — | — | US | disclosed |