⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28451882 | 0.73 | — | — | |
| SCHEMBL23723679 | 0.66 | — | — | |
| SCHEMBL29953055 | 0.65 | — | — | |
| SCHEMBL14471201 | 0.62 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL24758270 | 0.60 | PROKR1 (0.33) | — | |
| SCHEMBL29956253 | 0.58 | HPGD (0.49) | — | |
| SCHEMBL1769163 | 0.58 | — | — | |
| SCHEMBL16143800 | 0.57 | — | — | |
| SCHEMBL28801545 | 0.54 | HCAR2 (0.32) | — | |
| SCHEMBL17350103 | 0.53 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576517-B1 | N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES | BAYER IP GMBH (DE) | 2014-12-17 | — | — | EP | disclosed |
| EP-2619182-A1 | PHARMACEUTICAL COMPOSITION | Eisai R&D Management Co., Ltd. (JP) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012039972-A1 | PHARMACEUTICAL COMPOSITION | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-03-29 | — | — | WO | disclosed |