⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7849544 | 0.69 | — | — | |
| SCHEMBL356928 | 0.69 | — | — | |
| SCHEMBL242394 | 0.68 | — | — | |
| SCHEMBL13506940 | 0.67 | — | — | |
| SCHEMBL1776452 | 0.67 | — | — | |
| SCHEMBL661740 | 0.67 | — | — | |
| SCHEMBL28237459 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL137290 | 0.64 | — | — | |
| SCHEMBL18552566 | 0.63 | — | — | |
| SCHEMBL6039419 | 0.61 | ALDH1A1 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2266983-B1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2013-06-05 | — | — | EP | disclosed |
| US-8349886-B2 | Nitrogenated 5-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-08 | — | — | US | disclosed |
| US-8318746-B2 | Nitrogen-containing five-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| US-20110190335-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-04 | — | — | US | disclosed |
| EP-2266983-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-12-29 | — | — | EP | disclosed |
| US-20100130446-A1 | NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-2149550-A1 | NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-02-03 | — | — | EP | disclosed |