⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20517099 | 0.74 | — | — | |
| SCHEMBL17624321 | 0.74 | — | — | |
| SCHEMBL17624322 | 0.74 | — | — | |
| SCHEMBL17624324 | 0.74 | — | — | |
| SCHEMBL77248 | 0.71 | — | — | |
| SCHEMBL20610957 | 0.70 | GAA (0.32) | — | |
| SCHEMBL21721506 | 0.70 | ADORA2A (0.31) | — | |
| SCHEMBL21721404 | 0.70 | — | — | |
| SCHEMBL15559856 | 0.67 | KDM4E (0.43) | — | |
| SCHEMBL21720787 | 0.67 | HPGD (0.35) | — |
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-3353167-B1 | MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2020-06-24 | — | — | EP | disclosed |
| WO-2020012357-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2020-01-16 | — | — | WO | disclosed |
| US-20170137413-A1 | NOVEL HALOGEN-SUBSTITUTED COMPOUNDS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-05-18 | — | — | US | disclosed |
| US-8124625-B2 | enhancing the expression of apoAI; prevention or therapy of dislipidemia | SHIONOGI & CO., LTD. (JP) | 2012-02-28 | — | — | US | disclosed |
| WO-2009003672-A2 | NOVEL MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-01-08 | — | — | WO | disclosed |