⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL124690 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL25477279 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL15883628 | 0.58 | ALDH1A1 (0.46) | — | |
| SCHEMBL31519125 | 0.57 | PARP1 (0.45) | — | |
| SCHEMBL172093 | 0.57 | ALDH1A1 (0.34) | — | |
| SCHEMBL15882988 | 0.56 | ALDH1A1 (0.41) | — | |
| SCHEMBL124158 | 0.56 | ALDH1A1 (0.37) | — | |
| SCHEMBL23499218 | 0.55 | QPCT (0.36) | — | |
| SCHEMBL24890508 | 0.55 | LMNA (0.40) | — | |
| SCHEMBL26677682 | 0.55 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8273761-B2 | Tricyclic compound and medical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-09-25 | — | — | US | disclosed |
| US-8273761-B2 | Tricyclic compound and medical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-09-25 | — | — | US | disclosed |
| US-8273761-B2 | Tricyclic compound and medical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-09-25 | — | — | US | disclosed |
| EP-2100895-B1 | TRICYCLIC COMPOUND AND MEDICAL USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2012-03-07 | — | — | EP | disclosed |
| EP-2100895-B1 | TRICYCLIC COMPOUND AND MEDICAL USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20100029707-A1 | TRICYCLIC COMPOUND AND MEDICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-04 | — | — | US | disclosed |
| US-20100029707-A1 | TRICYCLIC COMPOUND AND MEDICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-04 | — | — | US | disclosed |
| US-20100029707-A1 | TRICYCLIC COMPOUND AND MEDICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-04 | — | — | US | disclosed |
| EP-2100895-A1 | TRICYCLIC COMPOUND AND MEDICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-09-16 | — | — | EP | disclosed |
| EP-2100895-A1 | TRICYCLIC COMPOUND AND MEDICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-09-16 | — | — | EP | disclosed |