⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14557216 | 1.00 | — | — | |
| SCHEMBL28792351 | 0.88 | — | — | |
| SCHEMBL11586274 | 0.82 | — | — | |
| SCHEMBL30266643 | 0.80 | — | — | |
| SCHEMBL731193 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL731194 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL3416292 | 0.78 | TSHR (0.52) | — | |
| SCHEMBL28756777 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL681860 | 0.73 | — | — | |
| SCHEMBL13680090 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017192385-A1 | HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES | ELANCO TIERGESUNDHEIT AG (CH) | 2017-11-09 | — | — | WO | disclosed |
| US-20160169998-A1 | METHOD FOR CREATING HYPERPOLARIZATION AT MICROTESLA MAGNETIC FIELDS | NATIONAL SCIENCE FOUNDATION | 2016-06-16 | — | — | US | disclosed |
| EP-1670460-B1 | PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-26 | — | — | EP | disclosed |