⚠ 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 SCHEMBL8037553 | 0.88 | ALOX5 (0.33) | — | |
| Bromide SCHEMBL8035468 | 0.88 | ALOX5 (0.33) | — | |
| SCHEMBL8035531 | 0.73 | — | — | |
| SCHEMBL8039777 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8037563 | 0.70 | ALOX5 (0.33) | — | |
| Bromide SCHEMBL8035475 | 0.70 | ALOX5 (0.33) | — | |
| SCHEMBL11151827 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8032877 | 0.67 | SLC6A3 (0.31) | — | |
| SCHEMBL8039775 | 0.66 | — | — | |
| SCHEMBL8033407 | 0.65 | CYP2D6 (0.42) | — |
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-6022822-A | Organotin compound and catalyst for transesterification comprising the same | RYOJI NOYORI (JP) | 2000-02-08 | — | — | US | disclosed |