⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4573334 | 0.81 | — | — | |
| SCHEMBL13086010 | 0.77 | — | — | |
| SCHEMBL990608 | 0.75 | — | — | |
| SCHEMBL21240970 | 0.75 | — | — | |
| SCHEMBL15817436 | 0.75 | — | — | |
| SCHEMBL29739219 | 0.75 | — | — | |
| SCHEMBL16310618 | 0.75 | — | — | |
| SCHEMBL30017735 | 0.75 | — | — | |
| SCHEMBL24595050 | 0.74 | GABRA1 (0.37) | — | |
| SCHEMBL16139569 | 0.73 | TRPV4 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021097039-A1 | TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF | GILEAD SCIENCES, INC. (US) | 2021-05-20 | — | — | WO | disclosed |
| 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 |