⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27754498 | 1.00 | — | — | |
| SCHEMBL29732618 | 1.00 | — | — | |
| SCHEMBL29419920 | 1.00 | — | — | |
| SCHEMBL11140332 | 1.00 | CA1 (0.50) | — | |
| SCHEMBL11138911 | 1.00 | CA1 (0.50) | — | |
| SCHEMBL29628015 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11166517 | 0.71 | CA4 (0.50) | — | |
| SCHEMBL5877920 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11063557 | 0.71 | CA4 (0.50) | — | |
| SCHEMBL516669 | 0.71 | — | — |
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-5155577-A | Integrated circuit carriers and a method for making engineering changes in said carriers | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1992-10-13 | — | — | US | disclosed |