⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14596561 | 0.97 | — | — | |
| SCHEMBL6199031 | 0.72 | — | — | |
| SCHEMBL10912352 | 0.72 | — | — | |
| SCHEMBL18893372 | 0.67 | NOS1 (0.33) | — | |
| SCHEMBL12959737 | 0.67 | NOS1 (0.33) | — | |
| SCHEMBL20014017 | 0.63 | — | — | |
| SCHEMBL19068758 | 0.63 | — | — | |
| SCHEMBL502191 | 0.63 | TRIM24 (0.43) | — | |
| SCHEMBL1332943 | 0.63 | TRIM24 (0.43) | — | |
| SCHEMBL365601 | 0.63 | TRIM24 (0.43) | — |
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-9695183-B2 | Substituted 7-azabicycles and their use as orexin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2017-07-04 | — | — | US | disclosed |