⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30492 | 0.95 | — | — | |
| SCHEMBL27500493 | 0.95 | — | — | |
| Water SCHEMBL29738365 | 0.91 | — | — | |
| Phosphine SCHEMBL5033463 | 0.91 | — | — | |
| SCHEMBL30805813 | 0.91 | — | — | |
| Methane SCHEMBL196647 | 0.91 | — | — | |
| SCHEMBL8928294 | 0.91 | — | — | |
| Hydrogen Peroxide SCHEMBL9111065 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL6892114 | 0.91 | — | — | |
| SCHEMBL31366005 | 0.91 | — | — |
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-7897772-B2 | Acid addition salt of irinotecan | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2011-03-01 | — | — | US | disclosed |