⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8164434 | 0.85 | — | — | |
| SCHEMBL1088537 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL7715616 | 0.76 | CHRM2 (0.31) | — | |
| SCHEMBL950906 | 0.69 | GABRR1 (0.36) | — | |
| SCHEMBL13209239 | 0.69 | GABRR1 (0.36) | — | |
| SCHEMBL2296098 | 0.69 | GABRR1 (0.36) | — | |
| SCHEMBL3464832 | 0.69 | GABRR1 (0.36) | — | |
| SCHEMBL3465515 | 0.69 | GABRR1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL949715 | 0.68 | GABRR1 (0.34) | — | |
| SCHEMBL542044 | 0.66 | CYP2D6 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1190244-B1 | METHOD OF PRODUCING MONOLITHIC SUPPORT MATERIALS | BUCHMEISER MICHAEL RUDOLF (AT) | 2003-02-26 | — | — | EP | disclosed |
| EP-0487673-A1 | NEW XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) | 1992-06-03 | — | — | EP | disclosed |
| WO-1992000297-A1 | NEW XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM KG (DE) | 1992-01-09 | — | — | WO | disclosed |