⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2463078 | 0.86 | — | — | |
| SCHEMBL14992608 | 0.78 | IMPDH2 (0.32) | — | |
| SCHEMBL2464673 | 0.78 | IMPDH2 (0.31) | — | |
| SCHEMBL13264166 | 0.76 | HTR2A (0.30) | — | |
| SCHEMBL22443154 | 0.69 | HSP90AB1 (0.39) | — | |
| SCHEMBL1124861 | 0.69 | HRH3 (0.36) | — | |
| SCHEMBL1428232 | 0.69 | ERN1 (0.40) | — | |
| SCHEMBL14992928 | 0.68 | TAAR1 (0.38) | — | |
| SCHEMBL2370050 | 0.67 | DAO (0.45) | — | |
| SCHEMBL20919064 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2785714-A1 | IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR | Taivex Therapeutics Corporation (TW) | 2014-10-08 | — | — | EP | disclosed |
| WO-2013082324-A1 | IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR | TAIVEX THERAPEUTICS CORPORATION (TW) | 2013-06-06 | — | — | WO | disclosed |