⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5078528 | 0.97 | FFAR3 (0.33) | — | |
| SCHEMBL612927 | 0.79 | — | — | |
| SCHEMBL106415 | 0.77 | — | — | |
| SCHEMBL8641820 | 0.77 | FFAR3 (0.44) | — | |
| SCHEMBL16934086 | 0.76 | SPHK1 (0.43) | — | |
| SCHEMBL16934087 | 0.76 | SPHK1 (0.43) | — | |
| SCHEMBL11417076 | 0.74 | — | — | |
| SCHEMBL15114668 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4373671 | 0.74 | FFAR3 (0.42) | — | |
| Hydrochloric Acid SCHEMBL808921 | 0.74 | FFAR3 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120135441-A1 | ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES | DR. REDDY'S LABORATORIES, INC. (US) | 2012-05-31 | — | — | US | disclosed |
| US-20120135441-A1 | ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES | DR. REDDY'S LABORATORIES, INC. (US) | 2012-05-31 | — | — | US | disclosed |
| 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 |
| 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-A3 | ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES | DR. REDDY'S LABORATORIES LTD. (IN) | 2011-04-28 | — | — | WO | 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 |
| 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 |