⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1845 | 0.97 | — | — | |
| SCHEMBL7424166 | 0.97 | TTR (0.31) | — | |
| Water SCHEMBL8179625 | 0.94 | — | — | |
| SCHEMBL30772879 | 0.94 | — | — | |
| Water SCHEMBL180052 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL25278411 | 0.94 | — | — | |
| SCHEMBL29137967 | 0.94 | — | — | |
| SCHEMBL14957795 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3502043 | 0.94 | — | — | |
| Water SCHEMBL5697468 | 0.94 | — | — |
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-6172209-B1 | MOLECULAR HYBRIDIZATION, GENETIC ENGINEERING; NUCLEASE RESISTANCE | ISIS PHARMACEUTICALS INC. | 2001-01-09 | — | — | US | claimed |
| US-6255333-B1 | HUMANS OR ANIMALS | PFIZER INC. | 2001-07-03 | — | — | US | disclosed |