⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15691391 | 0.78 | — | — | |
| SCHEMBL15691410 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL7990423 | 0.76 | — | — | |
| SCHEMBL7469857 | 0.76 | — | — | |
| SCHEMBL1820046 | 0.76 | — | — | |
| SCHEMBL15691387 | 0.76 | — | — | |
| SCHEMBL11948739 | 0.69 | ALDH1A1 (0.49) | — | |
| SCHEMBL10713413 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL29211178 | 0.69 | ALDH1A1 (0.54) | — | |
| SCHEMBL31531435 | 0.68 | MAPT (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110045974-A1 | Substituted Triazinylmethyl Sulfonamides | BASF SE (DE) | 2011-02-24 | — | — | US | disclosed |
| EP-1169338-A2 | LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-09 | — | — | EP | disclosed |
| EP-1165601-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-02 | — | — | EP | disclosed |
| EP-1051431-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-15 | — | — | EP | disclosed |
| WO-2000061609-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |
| WO-2000061608-A2 | LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |
| WO-1999037668-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |