⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9576641 | 1.00 | — | — | |
| SCHEMBL27975007 | 1.00 | — | — | |
| SCHEMBL11619583 | 0.82 | — | — | |
| SCHEMBL2388480 | 0.76 | — | — | |
| SCHEMBL11620523 | 0.75 | TMEM97 (0.32) | — | |
| SCHEMBL11619125 | 0.75 | PPM1A (0.30) | — | |
| SCHEMBL25393897 | 0.73 | — | — | |
| SCHEMBL11615208 | 0.72 | — | — | |
| SCHEMBL11622191 | 0.70 | — | — | |
| SCHEMBL11530134 | 0.70 | CTSV (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104024252-A | Bicyclic heterocyclic derivatives for the treatment of pulmonary hypertension | NOVARTIS AG | 2014-09-03 | — | — | CN | disclosed |
| CN-102216277-A | Substituted benzamides as cannabinoid receptor ligands | ABBOTT LAB | 2011-10-12 | — | — | CN | disclosed |