⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL160784 | 0.80 | SLC6A4 (0.30) | — | |
| SCHEMBL61083 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8681308 | 0.78 | — | — | |
| SCHEMBL7715788 | 0.76 | OPRL1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5960763 | 0.75 | — | — | |
| SCHEMBL61974 | 0.75 | — | — | |
| SCHEMBL61735 | 0.75 | — | — | |
| SCHEMBL7095148 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3168559 | 0.73 | — | — | |
| SCHEMBL61654 | 0.73 | TSHR (0.32) | — |
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-0329105-A2 | Molecular weight controller for polymerization of lactams to polyamides | BASF Corporation (US) | 1989-08-23 | — | — | EP | claimed |
| EP-2206721-A1 | NEUROMEDIN U DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2010-07-14 | — | — | EP | disclosed |