⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7035947 | 0.75 | — | — | |
| SCHEMBL5341363 | 0.72 | — | — | |
| SCHEMBL1305126 | 0.72 | — | — | |
| SCHEMBL16446550 | 0.70 | — | — | |
| SCHEMBL537368 | 0.70 | — | — | |
| SCHEMBL1914965 | 0.70 | — | — | |
| SCHEMBL1305124 | 0.70 | — | — | |
| SCHEMBL24828530 | 0.70 | — | — | |
| SCHEMBL21718875 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL21597620 | 0.68 | ADORA2B (0.33) | — |
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-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| CN-105121418-A | Benzothiazol- 6 -yl acetic acid derivatives and their use for treating an hiv infection | GILEAD SCIENCES INC | 2015-12-02 | — | — | CN | disclosed |