⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6505632 | 0.85 | — | — | |
| SCHEMBL1402641 | 0.85 | — | — | |
| SCHEMBL2678857 | 0.85 | — | — | |
| SCHEMBL11547875 | 0.83 | EPHX1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL11770335 | 0.83 | AR (0.35) | — | |
| SCHEMBL11013366 | 0.76 | — | — | |
| SCHEMBL7993708 | 0.74 | — | — | |
| SCHEMBL9020272 | 0.72 | — | — | |
| SCHEMBL8055442 | 0.72 | — | — | |
| SCHEMBL29098712 | 0.72 | SMN1; SMN2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014121055-A2 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-08-07 | — | — | WO | disclosed |