⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL402583 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28751278 | 0.70 | — | — | |
| SCHEMBL25042524 | 0.69 | — | — | |
| SCHEMBL3299738 | 0.68 | — | — | |
| SCHEMBL573503 | 0.65 | NPC1 (0.32) | — | |
| SCHEMBL1695121 | 0.65 | MLYCD (0.38) | — | |
| SCHEMBL738718 | 0.64 | ESR1 (0.34) | — | |
| SCHEMBL6294438 | 0.64 | MLYCD (0.40) | — | |
| SCHEMBL2428653 | 0.62 | MLYCD (0.33) | — | |
| SCHEMBL7856723 | 0.62 | PDE10A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1656079-A | Pyrazole compounds and pharmaceutical compositions containing the same | EISAI CO LTD (JP) | 2005-08-17 | — | — | CN | disclosed |
| CN-1617676-A | Method of fattening poultry | AJINOMOTO KK (JP) | 2005-05-18 | — | — | CN | disclosed |
| US-6132724-A | Allelic polygene diagnosis of reward deficiency syndrome and treatment | CITY OF HOPE NATIONAL MEDICAL CENTER (US) | 2000-10-17 | — | — | US | disclosed |
| EP-0979092-A2 | ALLELIC POLYGENE DIAGNOSIS OF REWARD DEFICIENCY SYNDROME AND TREATMENT | Kenneth Blum, Inc. (US) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998048785-A9 | ALLELIC POLYGENE DIAGNOSIS OF REWARD DEFICIENCY SYNDROME AND TREATMENT | KENNETH BLUM INC (US) | 1999-05-20 | — | — | WO | disclosed |
| WO-1998048785-A2 | ALLELIC POLYGENE DIAGNOSIS OF REWARD DEFICIENCY SYNDROME AND TREATMENT | KENNETH BLUM, INC. (US) | 1998-11-05 | — | — | WO | disclosed |
| EP-0381696-B1 | PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COCAINE ADDICTION | MATRIX TECHNOLOGIES, INC. (US) | 1993-07-28 | — | — | EP | disclosed |
| US-5189064-A | Administering enkephalinase inhibitor and neurotransmitter precursor | MATRIX TECHNOLOGIES, INC. (US) | 1993-02-23 | — | — | US | disclosed |