⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14703575 | 1.00 | — | — | |
| SCHEMBL29311648 | 1.00 | — | — | |
| SCHEMBL15268094 | 0.76 | — | — | |
| SCHEMBL13640593 | 0.76 | — | — | |
| SCHEMBL14987574 | 0.76 | — | — | |
| SCHEMBL23962204 | 0.73 | — | — | |
| SCHEMBL14981490 | 0.72 | HCAR2 (0.30) | — | |
| SCHEMBL18845140 | 0.72 | HCAR2 (0.30) | — | |
| SCHEMBL17740128 | 0.71 | — | — | |
| SCHEMBL23774821 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180142144-A1 | LUMINOGENIC TRANSITION METAL-BASED PYRIDYL COMPLEX AND ITS USE | CITY UNIVERSITY OF HONG KONG (HK) | 2018-05-24 | — | — | US | disclosed |
| US-20150290341-A1 | TARGETED IDURONATE-2-SULFATASE COMPOUNDS | Anglachem Inc. (CA) | 2015-10-15 | — | — | US | disclosed |