⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20309194 | 0.84 | — | — | |
| SCHEMBL8906627 | 0.82 | HDAC3 (0.57) | — | |
| SCHEMBL5533465 | 0.82 | ALDH1A1 (0.72) | — | |
| SCHEMBL929676 | 0.80 | — | — | |
| SCHEMBL1241798 | 0.80 | HDAC3 (0.59) | — | |
| SCHEMBL12657392 | 0.78 | — | — | |
| SCHEMBL928881 | 0.78 | — | — | |
| SCHEMBL11127833 | 0.77 | ALDH1A1 (0.94) | — | |
| SCHEMBL5830059 | 0.77 | ALDH1A1 (0.83) | — | |
| SCHEMBL3074569 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120009669-A1 | BIFUNCTIONAL COMPOUND WITH MONOSACCHARIDE AND N2S2 LIGAND, AND PREPARATION AND USE THEREOF | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) | 2012-01-12 | — | — | US | disclosed |
| WO-2005075426-A1 | NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF | GLENMARK PHARMACEUTICALS LTD. (US) | 2005-08-18 | — | — | WO | disclosed |