⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5154463 | 0.78 | — | — | |
| SCHEMBL12461694 | 0.76 | ELANE (0.42) | — | |
| SCHEMBL17198662 | 0.74 | POLB (0.40) | — | |
| SCHEMBL22800297 | 0.73 | NPSR1 (0.37) | — | |
| SCHEMBL12508124 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL17198706 | 0.71 | SCN5A (0.34) | — | |
| SCHEMBL27431578 | 0.71 | — | — | |
| SCHEMBL12126037 | 0.70 | MTNR1A (0.35) | — | |
| SCHEMBL23795222 | 0.69 | KMT2A (0.44) | — | |
| Lithium SCHEMBL31279809 | 0.69 | LMNA (0.35) | — |
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-9637477-B2 | Therapeutic substituted pyrroles | ALLERGAN, INC. (US) | 2017-05-02 | — | — | US | disclosed |
| US-20150336940-A1 | THERAPEUTIC SUBSTITUTED PYRROLES | ALLERGAN, INC. | 2015-11-26 | — | — | US | disclosed |