⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18743493 | 1.00 | — | — | |
| SCHEMBL168239 | 0.72 | — | — | |
| SCHEMBL3067982 | 0.72 | — | — | |
| SCHEMBL7975310 | 0.72 | — | — | |
| SCHEMBL15459836 | 0.71 | — | — | |
| SCHEMBL8363214 | 0.71 | — | — | |
| SCHEMBL30825661 | 0.69 | — | — | |
| SCHEMBL8320412 | 0.65 | — | — | |
| SCHEMBL15721584 | 0.65 | — | — | |
| SCHEMBL19687395 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3710449-B1 | MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER | BROAD INST INC (US) | 2022-07-06 | — | — | EP | disclosed |
| WO-2017156181-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |
| WO-2017156177-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |
| WO-2012083165-A1 | NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 PHARMACEUTICALS, LLC (US) | 2012-06-21 | — | — | WO | disclosed |
| EP-1597247-B1 | SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF | SANOFI AVENTIS DEUTSCHLAND (DE) | 2008-07-23 | — | — | EP | disclosed |