⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6586547 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL2729711 | 0.64 | CYP1A2 (0.37) | — | |
| SCHEMBL7333989 | 0.64 | NOS3 (0.32) | — | |
| SCHEMBL17786321 | 0.62 | MAPT (0.42) | — | |
| SCHEMBL11016288 | 0.62 | L3MBTL1 (0.43) | — | |
| SCHEMBL1421654 | 0.59 | TRPA1 (0.32) | — | |
| SCHEMBL310796 | 0.58 | TRPA1 (0.32) | — | |
| SCHEMBL9926022 | 0.57 | TRPA1 (0.58) | — | |
| SCHEMBL9958738 | 0.55 | GRK6 (0.34) | — | |
| SCHEMBL2903859 | 0.55 | GRK6 (0.34) | — |
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-2102201-B1 | SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK SHARP & DOHME (US) | 2010-10-13 | — | — | EP | disclosed |
| US-7517871-B2 | Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders | ACADIA PHARMACEUTICALS, INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-20060199798-A1 | Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders | EK FREDRIK | 2006-09-07 | — | — | US | disclosed |
| US-5602113-A | INHIBIT REVERSE TRANSCRIPTASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1997-02-11 | — | — | US | disclosed |
| EP-0498290-B1 | Pyridobenzodiazepines, dipyrido [3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMA (US) | 1996-09-18 | — | — | EP | disclosed |
| EP-0498290-A1 | Pyridobenzodiazepines, dipyrido [3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1992-08-12 | — | — | EP | disclosed |