⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1998113 | 0.75 | ADH1B (0.31) | — | |
| SCHEMBL2006030 | 0.73 | — | — | |
| SCHEMBL1995360 | 0.71 | — | — | |
| SCHEMBL2006032 | 0.71 | — | — | |
| SCHEMBL3062166 | 0.71 | — | — | |
| SCHEMBL17584560 | 0.70 | — | — | |
| SCHEMBL2008773 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL22833130 | 0.69 | — | — | |
| SCHEMBL19764586 | 0.68 | HRH4 (0.51) | — | |
| SCHEMBL1993168 | 0.68 | ADH1B (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751888-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-20160222016-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2016-08-04 | — | — | US | disclosed |
| WO-2015051241-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-09 | — | — | WO | disclosed |