⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18899147 | 1.00 | — | — | |
| SCHEMBL22570751 | 0.84 | — | — | |
| SCHEMBL10654503 | 0.84 | — | — | |
| SCHEMBL23677769 | 0.80 | — | — | |
| SCHEMBL3612092 | 0.73 | — | — | |
| SCHEMBL19808274 | 0.71 | EPHX2 (0.32) | — | |
| SCHEMBL12696612 | 0.71 | — | — | |
| SCHEMBL22212972 | 0.71 | — | — | |
| SCHEMBL5598538 | 0.71 | — | — | |
| SCHEMBL13006978 | 0.68 | MAPT (0.33) | — |
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-9982016-B2 | NPR-B agonists | SHIRE ORPHAN THERAPIES GMBH (DE) | 2018-05-29 | — | — | US | disclosed |
| US-20170313743-A1 | NPR-B Agonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-11-02 | — | — | US | disclosed |
| US-20170044112-A1 | HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-02-16 | — | — | US | disclosed |
| EP-1487802-B1 | 2,3-Diaryl-pyrazolidine derivatives as neurotensin degrading enzyme inhibitors | ABBOTT HEALTHCARE PRODUCTS BV (NL) | 2010-12-29 | — | — | EP | disclosed |
| US-7718655-B2 | Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity | NEW YORK UNIVERSITY (US) | 2010-05-18 | — | — | US | disclosed |
| WO-2003078400-A1 | NEUROTENSIN ACTIVE 2,3-DIARYL-PYRAZOLIDINE DERIVATIVES | SOLVAY PHARMACEUTICALS B.V. (NL) | 2003-09-25 | — | — | WO | disclosed |