⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29955112 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL22282771 | 0.71 | TLR7 (0.36) | — | |
| SCHEMBL12401743 | 0.71 | MEN1 (0.39) | — | |
| SCHEMBL25307197 | 0.70 | — | — | |
| SCHEMBL10094057 | 0.67 | — | — | |
| SCHEMBL2642889 | 0.67 | — | — | |
| SCHEMBL4011022 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL21339444 | 0.67 | MEN1 (0.42) | — | |
| SCHEMBL20471642 | 0.67 | ENPP2 (0.30) | — | |
| SCHEMBL31227449 | 0.66 | ALDH1A1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-9174949-B2 | Hedgehog inhibitors | SELEXAGEN THERAPEUTICS, INC. (US) | 2015-11-03 | — | — | US | disclosed |
| US-8563558-B2 | Substituted pyridine urea compounds | CONFLUENCE LIFE SCIENCES, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| US-20130012513-A1 | HEDGEHOG INHIBITORS | SELEXAGEN THERAPEUTICS, INC. | 2013-01-10 | — | — | US | disclosed |
| WO-2012078673-A1 | SUBSTITUTED PYRIDINE UREA COMPOUNDS | CONFLUENCE LIFE SCIENCES, INC. (US) | 2012-06-14 | — | — | WO | disclosed |
| US-20120142708-A1 | SUBSTITUTED PYRIDINE UREA COMPOUNDS | ACLARIS THERAPEUTICS, INC. | 2012-06-07 | — | — | US | disclosed |