⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22202086 | 0.81 | — | — | |
| SCHEMBL8266703 | 0.71 | — | — | |
| SCHEMBL7959525 | 0.69 | — | — | |
| SCHEMBL18767405 | 0.69 | — | — | |
| SCHEMBL17266179 | 0.69 | — | — | |
| SCHEMBL18597355 | 0.65 | — | — | |
| SCHEMBL19519789 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL8243138 | 0.61 | — | — | |
| SCHEMBL8243433 | 0.59 | TSHR (0.30) | — | |
| SCHEMBL7102475 | 0.59 | TSHR (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003053437-A1 | TRIAZOLES AS OXYTOCIN ANTAGONISTS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2003-07-03 | — | — | WO | disclosed |