⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4383781 | 0.89 | IDO1 (0.33) | — | |
| SCHEMBL4388754 | 0.87 | GAA (0.32) | — | |
| Biphenyl SCHEMBL4385685 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL29515524 | 0.78 | IDO1 (0.39) | — | |
| Iodide SCHEMBL7629435 | 0.76 | IDO1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL4387947 | 0.76 | IDO1 (0.38) | — | |
| Bromide SCHEMBL2445980 | 0.76 | IDO1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL7629171 | 0.76 | IDO1 (0.38) | — | |
| Iodide SCHEMBL7628894 | 0.76 | IDO1 (0.38) | — | |
| Bromide SCHEMBL3322091 | 0.76 | IDO1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7629431-B2 | Polycarbonate prepolymer for solid phase polymerization and process for producing polycarbonate | IDEMITSU KOSAN CO., LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20080064847-A1 | Oxidative carbonylation; molecular weight control | IDEMISU KOSAN CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |