⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28356061 | 1.00 | — | — | |
| SCHEMBL16731037 | 1.00 | — | — | |
| SCHEMBL371302 | 0.80 | TSHR (0.41) | — | |
| SCHEMBL1960559 | 0.80 | — | — | |
| SCHEMBL2456352 | 0.79 | NAAA (0.35) | — | |
| SCHEMBL221749 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL271027 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL74779 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL8744220 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL196174 | 0.77 | TSHR (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9522884-B2 | Compositions and methods for the treatment of metabolic disorders | CELLIX BIO PRIVATE LIMITED (IN) | 2016-12-20 | — | — | US | disclosed |
| US-20150141468-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS | MAHESH KANDULA (IN) | 2015-05-21 | — | — | US | disclosed |
| WO-2006066806-A1 | MANUFACTURE OF VITAMIN B6 | DSM IP ASSETS B.V. (NL) | 2006-06-29 | — | — | WO | disclosed |
| US-4079076-A | TREATING NITRO COMPOUNDS WITH PHOSPHORUS TRICHLORIDE IN THE PRESENCE OF PYRIDINE | HOFFMANN-LA ROCHE, INC. (US) | 1978-03-14 | — | — | US | disclosed |