⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29001118 | 0.56 | — | — | |
| SCHEMBL10586863 | 0.51 | — | — | |
| SCHEMBL3078599 | 0.49 | — | — | |
| SCHEMBL6562332 | 0.48 | — | — | |
| SCHEMBL16534475 | 0.47 | — | — | |
| SCHEMBL876230 | 0.47 | — | — | |
| SCHEMBL1480969 | 0.47 | — | — | |
| SCHEMBL22815103 | 0.46 | TDP1 (0.31) | — | |
| SCHEMBL708361 | 0.46 | — | — | |
| SCHEMBL7684543 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117777053-A | Industrial production method of tianeptine | 山东诚汇双达药业有限公司 | 2024-03-29 | — | — | CN | disclosed |
| WO-2008152434-A1 | SYNTHESIS FOR THE PREPARATION OF QUETIAPINE | RICHTER GEDEON NYRT. (HU) | 2008-12-18 | — | — | WO | disclosed |