⚠ 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 | 0.73 | TAAR1 (0.68) | — | |
| SCHEMBL1106684 | 0.73 | IDO1 (0.58) | — | |
| Hydrochloric Acid SCHEMBL621962 | 0.73 | IDO1 (0.50) | — | |
| Bromide SCHEMBL1444595 | 0.73 | IDO1 (0.50) | — | |
| SCHEMBL7803602 | 0.71 | — | — | |
| SCHEMBL120896 | 0.71 | — | — | |
| SCHEMBL5189081 | 0.71 | — | — | |
| SCHEMBL1145264 | 0.71 | TAAR1 (0.56) | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.71 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL11243685 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2130820-A1 | Antipruritics | SHIONOGI & CO., LTD. (JP) | 2009-12-09 | — | — | EP | disclosed |
| US-6248739-B1 | DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES | PHARMACIA & UPJOHN COMPANY | 2001-06-19 | — | — | US | disclosed |