⚠ 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 | |
|---|---|---|---|---|
| Pyrazole SCHEMBL28511802 | 0.88 | HSP90AA1 (0.31) | — | |
| Naphthalene SCHEMBL338595 | 0.75 | CYP2A6 (0.42) | — | |
| Pyridazine SCHEMBL10645888 | 0.75 | — | — | |
| Pyrazine SCHEMBL4018721 | 0.73 | TSHR (0.32) | — | |
| Phthalazine SCHEMBL28105918 | 0.72 | HSP90AA1 (0.35) | — | |
| Anthracene SCHEMBL27373164 | 0.72 | ALDH1A1 (0.39) | — | |
| Pyrazine SCHEMBL4012644 | 0.71 | TSHR (0.30) | — | |
| Anthracene SCHEMBL28769412 | 0.69 | ALDH1A1 (0.33) | — | |
| Pyridine SCHEMBL1598546 | 0.69 | TSHR (0.50) | — | |
| Pyridine SCHEMBL28379730 | 0.69 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2242498-A2 | SYNERGISTIC ANTIPARASITIC COMPOSITIONS AND SCREENING METHODS | Tyratech, Inc. (US) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009086471-A2 | SYNERGISTIC ANTIPARASITIC COMPOSITIONS AND SCREENING METHODS | TYRATECH, INC. (US) | 2009-07-09 | — | — | WO | disclosed |