⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20887293 | 0.82 | — | — | |
| SCHEMBL6901007 | 0.75 | — | — | |
| SCHEMBL16983018 | 0.74 | — | — | |
| SCHEMBL7132886 | 0.74 | — | — | |
| SCHEMBL208260 | 0.74 | — | — | |
| SCHEMBL12055876 | 0.73 | — | — | |
| SCHEMBL8498231 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1713762 | 0.71 | — | — | |
| SCHEMBL6395272 | 0.71 | — | — | |
| SCHEMBL1434940 | 0.70 | TSHR (0.41) | — |
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-7411082-B2 | Synthesizing method for compound, and catalyst for synthesis reaction | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. (GB) | 2008-08-12 | — | — | US | disclosed |
| US-20050215804-A1 | Synthesizing method for compound, and catalyst for synthesis reaction | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2005-09-29 | — | — | US | disclosed |