⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27554015 | 0.90 | CYP2C19 (0.41) | — | |
| SCHEMBL27476446 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL27434694 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL27413718 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL27476444 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL27435774 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL15538586 | 0.68 | LMNA (0.46) | — | |
| SCHEMBL18281682 | 0.68 | — | — | |
| SCHEMBL9570526 | 0.68 | LMNA (0.40) | — | |
| SCHEMBL248779 | 0.68 | CYP2C19 (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1200917-C | Process for preparation of cyclopropyl acethlene derivative | KURARAY CO (JP) | 2005-05-11 | — | — | CN | disclosed |
| CN-1183090-C | Method for preparation of cyclopropyl acrylic derivative | �����ɷ� | 2005-01-05 | — | — | CN | disclosed |
| WO-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |
| CN-1070833-C | Process for preparing cyclopropyl acetylene derivatives | KURARAY CO (JP) | 2001-09-12 | — | — | CN | disclosed |
| CN-1281840-A | Process for preparation of cyclopropyl acethlene derivative | KURARAY CO (JP) | 2001-01-31 | — | — | CN | disclosed |
| CN-1281846-A | Method for preparation of cyclopropyl acrylic derivative | KURARAY CO (JP) | 2001-01-31 | — | — | CN | disclosed |
| CN-1191856-A | Process for preparing cyclopropyl acetylene derivatives | KURARAY CO (JP) | 1998-09-02 | — | — | CN | disclosed |