⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL704093 | 0.73 | — | — | |
| SCHEMBL8523378 | 0.71 | — | — | |
| Water SCHEMBL27534295 | 0.71 | — | — | |
| Isopropyl Alcohol SCHEMBL27602835 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL8022701 | 0.68 | — | — | |
| SCHEMBL10707134 | 0.66 | — | — | |
| SCHEMBL8927657 | 0.66 | ELANE (0.31) | — | |
| Hydrochloric Acid SCHEMBL12094925 | 0.65 | ACHE (0.31) | — | |
| SCHEMBL7644772 | 0.64 | — | — | |
| SCHEMBL27648764 | 0.64 | — | — |
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-20130270741-A1 | IMPRINT PROCESS, AND TRANSFER SUBSTRATE AND ADHESIVE USED THEREWITH | DAI NIPPON PRINTING CO., LTD. (JP) | 2013-10-17 | — | — | US | disclosed |