⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8411539 | 0.77 | SLC6A3 (0.36) | — | |
| SCHEMBL5475612 | 0.76 | — | — | |
| SCHEMBL27597967 | 0.75 | — | — | |
| SCHEMBL28065790 | 0.74 | — | — | |
| SCHEMBL15277276 | 0.74 | — | — | |
| SCHEMBL20723912 | 0.70 | — | — | |
| SCHEMBL1680455 | 0.70 | — | — | |
| SCHEMBL11356600 | 0.70 | — | — | |
| SCHEMBL7936027 | 0.69 | SLC6A3 (0.32) | — | |
| SCHEMBL5560813 | 0.69 | SLC6A3 (0.32) | — |
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 4 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-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 |