⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15405111 | 0.80 | — | — | |
| SCHEMBL352066 | 0.78 | — | — | |
| SCHEMBL22499323 | 0.78 | — | — | |
| SCHEMBL40927 | 0.78 | — | — | |
| Phosphine SCHEMBL6599680 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL6597836 | 0.72 | — | — | |
| SCHEMBL1037514 | 0.72 | — | — | |
| SCHEMBL7725 | 0.71 | — | — | |
| SCHEMBL2556849 | 0.71 | — | — | |
| SCHEMBL9157875 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109956850-A | The production method of 3,7- dimethyl -7- matsutake alcohol and 3,7- dimethyl -7- octenyl carboxylate compound | 信越化学工业株式会社 | 2019-07-02 | — | — | CN | disclosed |
| WO-2007079239-A2 | BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF | ACADIA PHARMACEUTICALS INC. (US) | 2007-07-12 | — | — | WO | disclosed |
| US-5710161-A | Triazole derivatives and their use as therapeutic agents | MERCK, SHARP & DOHME, LTD. (GB) | 1998-01-20 | — | — | US | disclosed |