⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL160 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL758884 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL758883 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL2085247 | 0.72 | CA2 (0.41) | — | |
| Lithium SCHEMBL1493039 | 0.69 | CA2 (0.39) | — | |
| SCHEMBL2471225 | 0.69 | — | — | |
| SCHEMBL6830251 | 0.69 | CA2 (0.39) | — | |
| SCHEMBL9766897 | 0.69 | — | — | |
| SCHEMBL6448264 | 0.69 | CA2 (0.39) | — | |
| SCHEMBL6448263 | 0.69 | CA2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050165185-A1 | Preparation of a conjugated molecule and materials for use therein | MERCK PATENT GMBH (DE) | 2005-07-28 | — | — | US | disclosed |
| EP-1499662-A1 | PREPATION OF A CONJUGATED MOLECULE AND MATERIALS FOR USE THEREIN | Avecia Limited (GB) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003089499-A1 | PREPATION OF A CONJUGATED MOLECULE AND MATERIALS FOR USE THEREIN | AVECIA LIMITED (GB) | 2003-10-30 | — | — | WO | disclosed |