⚠ 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 SCHEMBL28157911 | 0.67 | — | — | |
| SCHEMBL6893332 | 0.65 | — | — | |
| SCHEMBL27698007 | 0.65 | CA1 (0.37) | — | |
| SCHEMBL6006424 | 0.64 | — | — | |
| SCHEMBL27756845 | 0.64 | — | — | |
| SCHEMBL3120068 | 0.64 | — | — | |
| SCHEMBL4724397 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28310503 | 0.62 | — | — | |
| SCHEMBL28047875 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL27412052 | 0.61 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8772277-B2 | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-07-08 | — | — | US | disclosed |
| US-20130072467-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2013-03-21 | — | — | US | disclosed |
| US-20130040951-A9 | PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2013-02-14 | — | — | US | disclosed |
| WO-2013018929-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-07 | — | — | WO | disclosed |
| EP-2530078-A1 | THIAZOLE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2012-12-05 | — | — | EP | disclosed |
| US-20120196864-A1 | PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2012-08-02 | — | — | US | disclosed |
| EP-2450352-A1 | PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER | Takeda Pharmaceutical Company Limited (JP) | 2012-05-09 | — | — | EP | disclosed |
| US-20110118236-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |
| US-20100029619-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) | 2010-02-04 | — | — | US | disclosed |
| EP-2058309-A1 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-05-13 | — | — | EP | disclosed |