⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8432582 | 0.67 | — | — | |
| SCHEMBL16414699 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL9860718 | 0.61 | — | — | |
| SCHEMBL8402634 | 0.57 | — | — | |
| SCHEMBL11879907 | 0.56 | — | — | |
| SCHEMBL8405240 | 0.54 | — | — | |
| SCHEMBL20511488 | 0.54 | — | — | |
| SCHEMBL3210900 | 0.52 | — | — | |
| SCHEMBL12161088 | 0.48 | — | — | |
| SCHEMBL8402625 | 0.48 | — | — |
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-5856612-A | USING A COORDINATION CATALYST CONTAINING CHROMIUM | MITSUBISHI CHEMICAL CORPORATION (JP) | 1999-01-05 | — | — | US | disclosed |