⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20711232 | 0.91 | — | — | |
| SCHEMBL20711234 | 0.90 | TRPM2 (0.54) | — | |
| SCHEMBL20711325 | 0.89 | — | — | |
| SCHEMBL20711365 | 0.87 | TRPM2 (0.64) | — | |
| SCHEMBL7102573 | 0.79 | DPP4 (0.69) | — | |
| SCHEMBL20711309 | 0.79 | TRPM2 (0.66) | — | |
| SCHEMBL20711231 | 0.78 | DPP4 (0.60) | — | |
| SCHEMBL20711315 | 0.78 | TRPM2 (0.77) | — | |
| SCHEMBL20711368 | 0.78 | TRPM2 (0.62) | — | |
| SCHEMBL31533322 | 0.77 | DOT1L (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 |
|---|---|---|---|---|---|---|---|
| US-10874686-B2 | Anthranilyl-adenosinemonosulfamate analogs and uses thereof | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2020-12-29 | — | — | US | disclosed |
| US-20190038656-A1 | ANTHRANILYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF | Memorial Slooan-Kettering Cancer Center (US) | 2019-02-07 | — | — | US | disclosed |