⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8176767 | 0.83 | KDM4E (0.37) | — | |
| SCHEMBL5718647 | 0.79 | TLR8 (0.37) | — | |
| SCHEMBL27475724 | 0.79 | — | — | |
| SCHEMBL83673 | 0.78 | PTGS2 (0.40) | — | |
| SCHEMBL24243015 | 0.77 | — | — | |
| SCHEMBL9474935 | 0.77 | — | — | |
| SCHEMBL1937023 | 0.77 | — | — | |
| SCHEMBL5420476 | 0.77 | — | — | |
| SCHEMBL11319010 | 0.77 | — | — | |
| SCHEMBL6587048 | 0.77 | NPC1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017168137-A1 | PYRIMIDOBENZIMIDAZOLES FOR USE IN THE TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISORDERS | GREAT MATTER PHARMA AB (SE) | 2017-10-05 | — | — | WO | disclosed |
| EP-2900644-B1 | HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-THIOAMIDES | BAYER CROPSCIENCE AG (DE) | 2016-09-21 | — | — | EP | disclosed |
| US-20120095001-A1 | SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES | MERCK SHARP & DOHME CORP. (US) | 2012-04-19 | — | — | US | disclosed |
| US-20100266714-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2010-10-21 | — | — | US | disclosed |