⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3577670 | 1.00 | — | — | |
| SCHEMBL3573395 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL3573394 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL3577730 | 0.80 | — | — | |
| SCHEMBL3577731 | 0.80 | — | — | |
| SCHEMBL3585382 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL3577386 | 0.75 | MTNR1A (0.37) | — | |
| SCHEMBL3577385 | 0.75 | MTNR1A (0.37) | — | |
| SCHEMBL3581720 | 0.74 | MTNR1A (0.40) | — | |
| SCHEMBL3581718 | 0.74 | MTNR1A (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2098513-B1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-01-21 | — | — | EP | disclosed |
| US-8247429-B2 | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-21 | — | — | US | disclosed |
| US-8247429-B2 | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-21 | — | — | US | disclosed |
| US-20100010038-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | 00 | 2010-01-14 | — | — | US | disclosed |
| US-20100010038-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | 00 | 2010-01-14 | — | — | US | disclosed |
| EP-2098513-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-09-09 | — | — | EP | disclosed |