⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15674083 | 1.00 | — | — | |
| SCHEMBL13631509 | 1.00 | — | — | |
| SCHEMBL19313957 | 1.00 | — | — | |
| SCHEMBL4483403 | 1.00 | — | — | |
| SCHEMBL16978664 | 1.00 | — | — | |
| SCHEMBL10558780 | 0.85 | — | — | |
| SCHEMBL7180614 | 0.79 | — | — | |
| SCHEMBL7180618 | 0.79 | — | — | |
| SCHEMBL13912783 | 0.79 | — | — | |
| Toluene SCHEMBL28833099 | 0.76 | LMNA (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8168799-B2 | Process for the preparation of tetrazolytetrahydrocyclopentapyrazoles | MERCK SHARPE & DOHME LTD. (GB) | 2012-05-01 | — | — | US | disclosed |
| US-7834222-B2 | intramolecular cyclopropanation of an epoxide in the presence of 0.05 to 0.75 equivalents of a secondary amine base and at least one equivalent of an alkyl lithium base | MERCK SHARP & DOHME LTD. (GB) | 2010-11-16 | — | — | US | disclosed |
| US-20100174091-A1 | Process for the preparation of tetrazolytetrahydrocyclopentapyrazoles | MERCK SHARP & DOHME LTD. (GB) | 2010-07-08 | — | — | US | disclosed |
| US-20100099923-A1 | Process for the Preparation of Bicyclo[3.1.0]Hexanols | MERCK SHARP & DOHME LTD. (GB) | 2010-04-22 | — | — | US | disclosed |
| WO-2007015111-A1 | A PROCESS FOR THE PREPARATION OF BICYCLO[3.1.0]HEXANOLS | MERCK SHARP & DOHME LIMITED (GB) | 2007-02-08 | — | — | WO | disclosed |