⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23017939 | 0.83 | — | — | |
| SCHEMBL17605645 | 0.79 | KDM1A (0.42) | — | |
| SCHEMBL17604798 | 0.79 | KDM1A (0.42) | — | |
| SCHEMBL17604740 | 0.78 | TDP2 (0.39) | — | |
| SCHEMBL17604739 | 0.78 | TDP2 (0.39) | — | |
| SCHEMBL17605831 | 0.78 | TDP2 (0.39) | — | |
| SCHEMBL31149115 | 0.76 | — | — | |
| SCHEMBL22039599 | 0.76 | — | — | |
| SCHEMBL21505368 | 0.76 | EP300 (0.40) | — | |
| SCHEMBL21505370 | 0.74 | EP300 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180193315-A1 | SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE | ABBVIE INC (US) | 2018-07-12 | — | — | US | disclosed |
| US-20180071262-A1 | SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE | ABBVIE INC. (US) | 2018-03-15 | — | — | US | disclosed |
| US-20160235716-A1 | SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE | ABBVIE INC. (US) | 2016-08-18 | — | — | US | disclosed |
| WO-2016044770-A1 | SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE | ABBVIE INC. (US) | 2016-03-24 | — | — | WO | disclosed |