⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11408483 | 0.87 | PLA2G2C (0.41) | — | |
| SCHEMBL19993489 | 0.82 | ITPR3 (0.44) | — | |
| SCHEMBL28407442 | 0.80 | — | — | |
| SCHEMBL369043 | 0.78 | PLA2G2C (0.38) | — | |
| SCHEMBL12583935 | 0.78 | — | — | |
| SCHEMBL63984 | 0.78 | BTN3A1 (0.53) | — | |
| SCHEMBL8768479 | 0.78 | PLA2G2C (0.38) | — | |
| SCHEMBL3686090 | 0.77 | LPAR3 (0.43) | — | |
| SCHEMBL5454175 | 0.76 | PLA2G2C (0.43) | — | |
| SCHEMBL30834684 | 0.76 | BTN3A1 (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-9993490-B2 | Phosphonic acid compounds and screening method | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2018-06-12 | — | — | US | disclosed |
| US-20170202863-A1 | PHOSPHONIC ACID COMPOUNDS AND SCREENING METHOD | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2017-07-20 | — | — | US | disclosed |