⚠ 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 SCHEMBL2110639 | 0.99 | — | — | |
| SCHEMBL2109259 | 0.78 | HTR2C (0.38) | — | |
| SCHEMBL10200406 | 0.77 | PKN2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL2112997 | 0.77 | HTR2C (0.38) | — | |
| SCHEMBL2111484 | 0.75 | ENPP3 (0.34) | — | |
| SCHEMBL2110366 | 0.75 | PNMT (0.37) | — | |
| SCHEMBL2110562 | 0.75 | MAPK13 (0.36) | — | |
| Bromide SCHEMBL2111057 | 0.75 | — | — | |
| SCHEMBL10200233 | 0.74 | ASIC3 (0.44) | — | |
| SCHEMBL10200235 | 0.74 | PNMT (0.36) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2018863-B9 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2015-02-18 | — | — | EP | claimed |
| EP-2018863-B1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2014-08-13 | — | — | EP | claimed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | claimed |
| US-8158617-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-17 | — | — | US | claimed |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-05-21 | — | — | US | claimed |
| EP-2018863-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-01-28 | — | — | EP | claimed |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| EP-2018863-B9 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2015-02-18 | — | — | EP | disclosed |
| EP-2018863-B1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2014-08-13 | — | — | EP | disclosed |
| EP-2742936-A1 | Fused heterocyclic compound and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2014-06-18 | — | — | EP | disclosed |
| EP-2727585-A1 | In-vivo screening method | Takeda Pharmaceutical Company Limited (JP) | 2014-05-07 | — | — | EP | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |
| US-8158617-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-05-21 | — | — | US | disclosed |
| EP-2018863-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-01-28 | — | — | EP | disclosed |