⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10824237 | 0.85 | ALOX5 (0.71) | — | |
| SCHEMBL7633989 | 0.82 | ALOX5 (0.67) | — | |
| SCHEMBL27233225 | 0.74 | — | — | |
| SCHEMBL3506130 | 0.74 | — | — | |
| SCHEMBL3479376 | 0.73 | ALOX5 (0.62) | — | |
| SCHEMBL24115649 | 0.72 | — | — | |
| SCHEMBL27233195 | 0.72 | ALOX5 (0.53) | — | |
| SCHEMBL19428352 | 0.72 | ALOX5 (0.53) | — | |
| SCHEMBL9042 | 0.72 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.71 | ALOX5 (1.00) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2450376-B1 | Human binding molecules capable of neutralizing influenza virus H5N1 and uses thereof | JANSSEN VACCINES & PREVENTION BV (NL) | 2018-02-28 | — | — | EP | disclosed |
| US-7550606-B2 | 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides | BASF AKTIENGESELLSCHAFT (DE) | 2009-06-23 | — | — | US | disclosed |
| US-20090023937-A1 | 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2009-01-22 | — | — | US | disclosed |
| US-7446198-B2 | 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides | BASF AKTIENGESELLSCHAFT (DE) | 2008-11-04 | — | — | US | disclosed |
| US-20060229385-A1 | 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides | BASF AKTIENGESELLSCHAFT (DE) | 2006-10-12 | — | — | US | disclosed |
| US-5208228-A | Skin disorders | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |