⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2110517 | 0.82 | HTR2C (0.32) | — | |
| Hydrochloric Acid SCHEMBL2109142 | 0.81 | HTR2C (0.31) | — | |
| SCHEMBL2109950 | 0.80 | CHEK1 (0.33) | — | |
| SCHEMBL2111638 | 0.80 | HRH4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL2111858 | 0.79 | HRH4 (0.35) | — | |
| SCHEMBL10200757 | 0.79 | APEX1 (0.33) | — | |
| SCHEMBL10200756 | 0.79 | HRH4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL2110638 | 0.79 | CHEK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2110481 | 0.78 | FAAH (0.33) | — | |
| Hydrochloric Acid SCHEMBL2112996 | 0.78 | HRH4 (0.34) | — |
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-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |