⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1583637 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL1583472 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL154523 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL527480 | 0.82 | FFAR3 (0.36) | — | |
| SCHEMBL4121883 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL2334924 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL1955216 | 0.80 | — | — | |
| SCHEMBL5409856 | 0.80 | — | — | |
| SCHEMBL4288323 | 0.79 | — | — | |
| SCHEMBL1693036 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8207349-B2 | Thiazolyl-dihydro-indazoles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-26 | — | — | US | disclosed |
| EP-2089368-B1 | DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-01-12 | — | — | EP | disclosed |
| US-7691888-B2 | Thiazolyl-dihydro-indazole | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-06 | — | — | US | disclosed |
| US-7652053-B2 | Diaminocycloalkane MCH receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2010-01-26 | — | — | US | disclosed |
| US-20080146636-A1 | For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol | ERICKSON SHAWN DAVID | 2008-06-19 | — | — | US | disclosed |
| US-20060100254-A1 | N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-05-11 | — | — | US | disclosed |