⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11619784 | 0.78 | — | — | |
| SCHEMBL13552053 | 0.78 | — | — | |
| SCHEMBL9099612 | 0.76 | — | — | |
| SCHEMBL10743887 | 0.76 | — | — | |
| SCHEMBL699853 | 0.76 | — | — | |
| SCHEMBL4189522 | 0.75 | — | — | |
| SCHEMBL14982789 | 0.73 | — | — | |
| SCHEMBL16840173 | 0.73 | — | — | |
| SCHEMBL15364071 | 0.73 | — | — | |
| SCHEMBL8681828 | 0.71 | ALDH1A1 (0.39) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10030016-B2 | Heterocyclic compounds useful as PDK1 inhibitors | SUNESIS PHARMACEUTICALS, INC. (US) | 2018-07-24 | — | — | US | disclosed |
| US-20160331756-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2016-11-17 | — | — | US | disclosed |
| US-20160331756-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2016-11-17 | — | — | US | disclosed |
| US-8562966-B2 | End-modified poly(beta-amino esters) and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-10-22 | — | — | US | disclosed |
| US-8562966-B2 | End-modified poly(beta-amino esters) and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-10-22 | — | — | US | disclosed |
| US-RE43612-E1 | Biodegradable poly(β-amino esters) and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-08-28 | — | — | US | disclosed |
| US-RE43612-E1 | Biodegradable poly(β-amino esters) and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-08-28 | — | — | US | disclosed |
| US-20120149630-A1 | END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149630-A1 | END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-06-14 | — | — | US | disclosed |