⚠ 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 SCHEMBL3112744 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL3124408 | 0.92 | — | — | |
| SCHEMBL7628939 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL3108519 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL3122217 | 0.88 | — | — | |
| SCHEMBL3119812 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3677055 | 0.87 | — | — | |
| SCHEMBL7756240 | 0.82 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3116538 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL7626398 | 0.80 | ALDH1A1 (0.33) | — |
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-6297333-B1 | METALLOCENE TRANSITION METAL COMPOUND HAVING AN INDENYL GROUP AND A FLUORENYL GROUP AS LIGANDS, SPECIFIC SUBSTITUENT ON A SPECIFIC POSITION OF THE INDENYL GROUP GIVES HIGH MOLECULAR WEIGHT AND HIGH ACTIVITY | MITSUI CHEMICALS INC (JP) | 2001-10-02 | — | — | US | disclosed |