⚠ 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL995232 | 0.94 | — | — | |
| SCHEMBL13385284 | 0.84 | — | — | |
| SCHEMBL31716111 | 0.84 | — | — | |
| SCHEMBL31717005 | 0.84 | — | — | |
| SCHEMBL13359028 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL13763778 | 0.82 | — | — | |
| SCHEMBL10271479 | 0.82 | — | — | |
| SCHEMBL12891941 | 0.82 | — | — | |
| SCHEMBL8358731 | 0.81 | — | — | |
| SCHEMBL13058971 | 0.81 | GLA (0.31) | — |
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-2448912-A2 | ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES | Dr. Reddy's Laboratories, Ltd. (IN) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011003063-A2 | ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES | DR. REDDY'S LABORATORIES LTD. (IN) | 2011-01-06 | — | — | WO | disclosed |