⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15977067 | 0.87 | — | — | |
| SCHEMBL23997980 | 0.83 | — | — | |
| SCHEMBL18513528 | 0.77 | — | — | |
| SCHEMBL29141763 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL19926498 | 0.75 | GABRP (0.32) | — | |
| Hydrochloric Acid SCHEMBL19926499 | 0.75 | GABRP (0.32) | — | |
| SCHEMBL2833674 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL730599 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL5420270 | 0.71 | — | — | |
| SCHEMBL2833673 | 0.71 | TRPA1 (0.33) | — |
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-7923549-B2 | Chemically synthesized nucleic acid molecule; nucleic acids with a pyrimidine modification; inflammatory, respiratory, pulmonary, autoimmune, cardiovascular, neurodegenerative, and/or proliferative and cancerous diseases, traits, or conditions | MERCK SHARP & DOHME CORP. (US) | 2011-04-12 | — | — | US | disclosed |