⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13814808 | 0.79 | — | — | |
| SCHEMBL22814323 | 0.75 | — | — | |
| SCHEMBL10121800 | 0.74 | POLB (0.30) | — | |
| SCHEMBL15382515 | 0.73 | FFAR1 (0.37) | — | |
| SCHEMBL23048514 | 0.71 | GABRR1 (0.31) | — | |
| SCHEMBL1353549 | 0.71 | GABRR1 (0.31) | — | |
| SCHEMBL21160904 | 0.71 | — | — | |
| SCHEMBL14161073 | 0.71 | HSD11B1 (0.33) | — | |
| SCHEMBL22810130 | 0.68 | CA1 (0.32) | — | |
| SCHEMBL21336594 | 0.68 | — | — |
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-20130184462-A1 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2013-07-18 | — | — | US | disclosed |
| WO-2012042541-A2 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-04-05 | — | — | WO | disclosed |