⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6466233 | 0.76 | — | — | |
| SCHEMBL28195475 | 0.74 | HAVCR2 (0.41) | — | |
| SCHEMBL2741330 | 0.73 | — | — | |
| SCHEMBL7821573 | 0.73 | — | — | |
| SCHEMBL194064 | 0.71 | KDM4E (0.41) | — | |
| SCHEMBL9224240 | 0.70 | KDM4E (0.49) | — | |
| SCHEMBL7820058 | 0.70 | KDM4E (0.38) | — | |
| SCHEMBL3284250 | 0.68 | HAVCR2 (0.36) | — | |
| SCHEMBL25054500 | 0.68 | VCAM1 (0.30) | — | |
| SCHEMBL15996310 | 0.67 | MAOA (0.47) | — |
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-20210139422-A1 | PRODUCTION OF ARYLPYRROL COMPOUNDS IN THE PRESENCE OF DIPEA BASE | BASF Agro B.V. (NL) | 2021-05-13 | — | — | US | disclosed |