⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18069726 | 0.85 | APLNR (0.32) | — | |
| SCHEMBL21159145 | 0.82 | APLNR (0.30) | — | |
| SCHEMBL680650 | 0.79 | — | — | |
| SCHEMBL17490369 | 0.79 | APLNR (0.35) | — | |
| SCHEMBL19691421 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL23806178 | 0.74 | — | — | |
| SCHEMBL24403165 | 0.73 | GRIN2D (0.31) | — | |
| SCHEMBL497813 | 0.73 | — | — | |
| SCHEMBL24920334 | 0.71 | — | — | |
| SCHEMBL25100465 | 0.71 | APLNR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9931324-B2 | Indolizine derivatives and their use in neurodegenerative diseases | MERCK PATENT GMBH (DE) | 2018-04-03 | — | — | US | disclosed |
| US-9931324-B2 | Indolizine derivatives and their use in neurodegenerative diseases | MERCK PATENT GMBH (DE) | 2018-04-03 | — | — | US | disclosed |
| US-20170079965-A1 | NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | US | disclosed |
| US-20170079965-A1 | NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | US | disclosed |
| US-9546166-B2 | Indolizine derivatives and their use in neurodegenerative diseases | MERCK PATENT GMBH (DE) | 2017-01-17 | — | — | US | disclosed |
| US-20160031879-A1 | NOVEL INDOLIZINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | US | disclosed |