⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17705190 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL14926932 | 0.78 | — | — | |
| SCHEMBL16448464 | 0.76 | SCN9A (0.30) | — | |
| SCHEMBL12858911 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL18859446 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL12191500 | 0.73 | — | — | |
| SCHEMBL20712681 | 0.71 | — | — | |
| SCHEMBL18843017 | 0.71 | — | — | |
| SCHEMBL13538712 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL12408075 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9981909-B2 | Serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-29 | — | — | US | disclosed |
| US-9981909-B2 | Serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-29 | — | — | US | disclosed |
| US-20160046574-A1 | SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2016-02-18 | — | — | US | disclosed |
| US-20140038943-A1 | SEROTONIN RECEPTOR MODULATOR | JANSSEN PHARMACEUTICA NV (US) | 2014-02-06 | — | — | US | disclosed |
| US-8642583-B2 | Serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-02-04 | — | — | US | disclosed |
| US-20110207714-A1 | SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-08-25 | — | — | US | disclosed |