⚠ 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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL782125 | 0.91 | — | — | |
| Malonic Acid SCHEMBL28221810 | 0.91 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL336 | 0.91 | — | — | |
| Malonic Acid SCHEMBL1332554 | 0.91 | — | — | |
| Malonic Acid SCHEMBL1332587 | 0.91 | — | — | |
| Malonic Acid SCHEMBL23831 | 0.91 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL3358611 | 0.91 | — | — | |
| Malonic Acid SCHEMBL1332405 | 0.91 | — | — | |
| Malonic Acid SCHEMBL10829223 | 0.89 | LDHA (0.64) | — | |
| Malonic Acid SCHEMBL6748056 | 0.87 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115702234-A | Environment-friendly solvent, and washing composition and washing device comprising same | 株式会社LG生活健康 | 2023-02-14 | — | — | CN | disclosed |
| US-20100105664-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2010-04-29 | — | — | US | disclosed |
| EP-2069333-A1 | PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES | Novartis Ag (CH) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008034600-A1 | PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES | NOVARTIS AG (CH) | 2008-03-27 | — | — | WO | disclosed |
| US-20040209870-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | ENNIS MICHAEL DALTON (US) | 2004-10-21 | — | — | US | disclosed |
| US-6734301-B2 | 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN COMPANY | 2004-05-11 | — | — | US | disclosed |
| EP-1328525-A2 | 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 2003-07-23 | — | — | EP | disclosed |
| US-20020002161-A1 | Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds | PHARMACIA & UPJOHN COMPANY | 2002-01-03 | — | — | US | disclosed |
| WO-2001072752-A2 | 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 2001-10-04 | — | — | WO | disclosed |