⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10412619 | 0.99 | — | — | |
| SCHEMBL2530644 | 0.80 | PDE9A (0.49) | — | |
| Hydrochloric Acid SCHEMBL10411408 | 0.80 | ADRA2A (0.45) | — | |
| SCHEMBL10868700 | 0.80 | POLB (0.52) | — | |
| SCHEMBL10869577 | 0.80 | TUBB4A (0.47) | — | |
| SCHEMBL10411634 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL10411405 | 0.79 | TUBB4A (0.46) | — | |
| Hydrochloric Acid SCHEMBL10411488 | 0.79 | POLB (0.51) | — | |
| SCHEMBL2524362 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL10411490 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-25 | — | — | US | claimed |
| EP-0178413-A1 | Benzimidazoles | BEECHAM GROUP PLC (GB) | 1986-04-23 | — | — | EP | claimed |
| US-8039500-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-18 | — | — | US | disclosed |
| US-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-25 | — | — | US | disclosed |
| EP-2125753-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008082003-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | WO | disclosed |