⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17410854 | 0.79 | CYP2A6 (0.36) | — | |
| SCHEMBL21829118 | 0.77 | — | — | |
| SCHEMBL30369439 | 0.77 | — | — | |
| SCHEMBL20124441 | 0.77 | — | — | |
| SCHEMBL19637815 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL19346422 | 0.73 | APLNR (0.33) | — | |
| SCHEMBL15168389 | 0.73 | APLNR (0.33) | — | |
| SCHEMBL19731174 | 0.72 | CYP2A6 (0.47) | — | |
| SCHEMBL16257059 | 0.71 | — | — | |
| SCHEMBL15132861 | 0.70 | TRPA1 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9546174-B2 | Inhibitor of apoptosis protein (IAP) antagonists | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2017-01-17 | — | — | US | disclosed |
| US-20160285010-A1 | ORGANIC LIGHT EMITTING DISPLAY DEVICE | LG DISPLAY CO., LTD. (KR) | 2016-09-29 | — | — | US | disclosed |
| US-9193716-B2 | S1P receptors modulators and their use thereof | AKAAL PHARMA PTY LTD. (AU) | 2015-11-24 | — | — | US | disclosed |
| US-20150307499-A1 | INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE | 2015-10-29 | — | — | US | disclosed |
| US-20140066427-A1 | S1P Receptors Modulators and Their Use Thereof | AKAAL PHARMA PTY LTD. (AU) | 2014-03-06 | — | — | US | disclosed |