⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6700938 | 0.84 | TDP1 (0.33) | — | |
| SCHEMBL28566925 | 0.81 | — | — | |
| SCHEMBL934012 | 0.78 | PHF8 (0.54) | — | |
| Sarcosine SCHEMBL156329 | 0.78 | LDHA (0.44) | — | |
| Sarcosine SCHEMBL26641423 | 0.78 | LDHA (0.44) | — | |
| Sarcosine SCHEMBL28259932 | 0.78 | — | — | |
| Sarcosine SCHEMBL149 | 0.78 | — | — | |
| Sarcosine SCHEMBL31427574 | 0.78 | — | — | |
| SCHEMBL11695237 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3908353 | 0.76 | PHF8 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015092412-A1 | CHEMICAL COMPOUNDS | ISIS INNOVATION LIMITED (GB) | 2015-06-25 | — | — | WO | disclosed |
| EP-2231587-A1 | PROCESS FOR THE PREPARATION OF BETAINES | Lonza Ltd (CH) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009062731-A1 | PROCESS FOR THE PREPARATION OF BETAINES | LONZA LTD (CH) | 2009-05-22 | — | — | WO | disclosed |