⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11568485 | 0.76 | — | — | |
| SCHEMBL19573951 | 0.73 | — | — | |
| SCHEMBL23581997 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL10680475 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9794682 | 0.73 | — | — | |
| SCHEMBL28410484 | 0.71 | — | — | |
| SCHEMBL28434350 | 0.69 | — | — | |
| SCHEMBL1679974 | 0.69 | — | — | |
| SCHEMBL669306 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL9847617 | 0.65 | NOS3 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7622552-B2 | Ligation method | ALMAC SCIENCES (SCOTLAND) LIMITED (GB) | 2009-11-24 | — | — | US | disclosed |