⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29372349 | 0.83 | — | — | |
| SCHEMBL30863955 | 0.59 | HSD17B10 (0.44) | — | |
| SCHEMBL4720221 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL28946229 | 0.56 | HSD17B10 (0.40) | — | |
| SCHEMBL3129653 | 0.56 | HSD17B10 (0.50) | — | |
| SCHEMBL358354 | 0.56 | — | — | |
| Altretamine SCHEMBL4206 | 0.55 | LMNA (1.00) | — | |
| Altretamine SCHEMBL2354769 | 0.55 | LMNA (1.00) | — | |
| SCHEMBL4926690 | 0.54 | HSD17B10 (0.54) | — | |
| SCHEMBL3129639 | 0.54 | HSD17B10 (0.48) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100029688-A1 | BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME CORP. | 2010-02-04 | — | — | US | disclosed |
| CN-1198822-C | Angiogenesis inhibiting thiadiazolyl pyridazine derivatives | JANSSEN PHARMACEUTICA B V (BE) | 2005-04-27 | — | — | CN | disclosed |
| CN-1261364-A | Angiogenesis inhibiting thiadiazolyl pyridazine derivatives | JANSSEN PHARMACEUTICA B V (BE) | 2000-07-26 | — | — | CN | disclosed |
| CN-1216527-A | Method for scavenging mercaptan | APOTEX INC (CA) | 1999-05-12 | — | — | CN | disclosed |
| EP-0883622-A1 | PROTON PUMP INHIBITOR | APOTEX INC. (CA) | 1998-12-16 | — | — | EP | disclosed |
| EP-0883606-A1 | PROCESS FOR SCAVENGING THIOLS | APOTEX INC. (CA) | 1998-12-16 | — | — | EP | disclosed |
| WO-1997031923-A1 | PROTON PUMP INHIBITOR | APOTEX INC. (CA) | 1997-09-04 | — | — | WO | disclosed |
| WO-1997031893-A1 | PROCESS FOR SCAVENGING THIOLS | APOTEX INC. (CA) | 1997-09-04 | — | — | WO | disclosed |