⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17709779 | 0.79 | — | — | |
| SCHEMBL4940352 | 0.74 | IDO1 (0.55) | — | |
| SCHEMBL17069844 | 0.73 | CLCN2 (0.39) | — | |
| SCHEMBL5273095 | 0.73 | CYP1A2 (0.41) | — | |
| SCHEMBL19743584 | 0.73 | IDO1 (0.52) | — | |
| SCHEMBL29220297 | 0.71 | IDO1 (0.40) | — | |
| SCHEMBL16396129 | 0.71 | IDO1 (0.36) | — | |
| SCHEMBL16550662 | 0.70 | IDO1 (0.55) | — | |
| SCHEMBL10962586 | 0.69 | IDO1 (0.52) | — | |
| SCHEMBL6301740 | 0.69 | KDM4A (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170145038-A1 | SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF | HELSINN HEALTHCARE SA (CH) | 2017-05-25 | — | — | US | disclosed |
| US-9546157-B2 | Asymmetric piperidinyl-substituted ureas as medicines | HELSINN HEALTHCARE SA (CH) | 2017-01-17 | — | — | US | disclosed |
| WO-2015134839-A1 | P-SUBSTITUTED ASYMMETRIC UREAS AND MEDICAL USES THEREOF | HELSINN HEALTHCARE SA (CH) | 2015-09-11 | — | — | WO | disclosed |
| US-20150252021-A1 | p-Substituted Asymmetric Ureas and Medical Uses Thereof | HELSINN HEALTHCARE SA (CH) | 2015-09-10 | — | — | US | disclosed |