⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6898580 | 0.94 | INMT (0.39) | — | |
| SCHEMBL12587531 | 0.79 | INMT (0.42) | — | |
| SCHEMBL18407845 | 0.76 | — | — | |
| SCHEMBL2641271 | 0.76 | — | — | |
| SCHEMBL9845264 | 0.74 | — | — | |
| SCHEMBL30762 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL28118769 | 0.72 | PIK3CD (0.47) | — | |
| Hydrochloric Acid SCHEMBL7162864 | 0.72 | PIK3CD (0.47) | — | |
| Methane SCHEMBL27440503 | 0.72 | PIK3CD (0.47) | — | |
| SCHEMBL12587530 | 0.72 | INMT (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825191-B2 | ANTICOAGULANT | AJINOMOTO CO., INC. (JP) | 2004-11-30 | — | — | US | claimed |
| US-20030186969-A1 | Benzodiazepine derivatives | AJINOMOTO CO. INC (JP) | 2003-10-02 | — | — | US | claimed |
| EP-1329450-A1 | BENZODIAZEPINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2003-07-23 | — | — | EP | claimed |
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | claimed |
| US-6825191-B2 | ANTICOAGULANT | AJINOMOTO CO., INC. (JP) | 2004-11-30 | — | — | US | disclosed |
| US-20030186969-A1 | Benzodiazepine derivatives | AJINOMOTO CO. INC (JP) | 2003-10-02 | — | — | US | disclosed |
| EP-1329450-A1 | BENZODIAZEPINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |
| US-4105769-A | Inhibition of indoleamine-N-methyl transferase by 2-iminopyridines | MERCK & CO., INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4105769-A | Inhibition of indoleamine-N-methyl transferase by 2-iminopyridines | MERCK & CO., INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4012418-A | Process for the preparation of pyrrolidone-2 | STAMICARBON B.V. (NL) | 1977-03-15 | — | — | US | disclosed |