⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14366693 | 0.80 | CA12 (0.32) | — | |
| Water SCHEMBL27737033 | 0.76 | CA4 (0.39) | — | |
| Benzene SCHEMBL27757751 | 0.76 | CA4 (0.39) | — | |
| SCHEMBL6053990 | 0.73 | — | — | |
| SCHEMBL202617 | 0.72 | CA4 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL28286688 | 0.70 | CA4 (0.39) | — | |
| SCHEMBL27967440 | 0.70 | CA4 (0.39) | — | |
| Fluoride SCHEMBL28075271 | 0.70 | CA4 (0.39) | — | |
| SCHEMBL28013767 | 0.70 | CA1 (0.41) | — | |
| SCHEMBL5143564 | 0.68 | TDP1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105732850-A | PROCESS FOR PRODUCING OLEFIN POLYMER | 住友化学株式会社 | 2016-07-06 | — | — | CN | disclosed |