⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3206726 | 0.99 | — | — | |
| SCHEMBL5982706 | 0.88 | CES1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL339000 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL8575783 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL27444926 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6322083 | 0.84 | — | — | |
| SCHEMBL1010160 | 0.82 | GSTP1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL3199201 | 0.81 | GSTP1 (0.35) | — | |
| SCHEMBL31425741 | 0.79 | BRD4 (0.32) | — | |
| SCHEMBL2152789 | 0.79 | BRD4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1008626-B1 | Hollow vessel for heat sterilization | MITSUI CHEMICALS INC (JP) | 2006-03-01 | — | — | EP | disclosed |