⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3505390 | 0.92 | CES1 (0.52) | — | |
| SCHEMBL14997257 | 0.90 | CES2 (0.54) | — | |
| SCHEMBL18084895 | 0.90 | CES2 (0.54) | — | |
| SCHEMBL11124092 | 0.86 | TDP1 (0.40) | — | |
| SCHEMBL10056217 | 0.83 | — | — | |
| SCHEMBL164095 | 0.82 | — | — | |
| SCHEMBL182305 | 0.81 | CES1 (0.52) | — | |
| Acetic Acid SCHEMBL9743317 | 0.80 | THRB (0.47) | — | |
| SCHEMBL17635459 | 0.80 | CES1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL15846838 | 0.80 | CES1 (0.46) | — |
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-20180078480-A1 | Methods and Compositions for Dag Mitigation | INVENTION DEVELOPMENT MANAGEMENT COMPANY, LLC | 2018-03-22 | — | — | US | disclosed |