⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2135113 | 0.76 | TAAR1 (0.68) | — | |
| SCHEMBL1106684 | 0.76 | IDO1 (0.58) | — | |
| Bromide SCHEMBL1444595 | 0.75 | IDO1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL621962 | 0.75 | IDO1 (0.50) | — | |
| SCHEMBL5189081 | 0.73 | — | — | |
| SCHEMBL120896 | 0.73 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.73 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL11243685 | 0.73 | — | — | |
| SCHEMBL9346811 | 0.71 | IDO1 (0.46) | — | |
| SCHEMBL128405 | 0.71 | — | — |
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-20010034425-A1 | Process for producing alpha-olefin polymers | MITSUBISHI CHEMICAL CORPORATION | 2001-10-25 | — | — | US | disclosed |