⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10288632 | 0.77 | CA12 (0.42) | — | |
| SCHEMBL3610446 | 0.76 | — | — | |
| SCHEMBL3613760 | 0.74 | — | — | |
| SCHEMBL13809977 | 0.74 | — | — | |
| SCHEMBL4722812 | 0.74 | — | — | |
| SCHEMBL10905874 | 0.72 | — | — | |
| SCHEMBL8664159 | 0.72 | — | — | |
| SCHEMBL2821774 | 0.71 | CA12 (0.54) | — | |
| SCHEMBL3893453 | 0.70 | CA12 (0.56) | — | |
| SCHEMBL17378298 | 0.70 | CA12 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012114252-A1 | NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-08-30 | — | — | WO | disclosed |
| US-20100076005-A1 | ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UNIBIOSCREEN SA (BE) | 2010-03-25 | — | — | US | disclosed |
| US-20100056567-A1 | NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | PETERS DAN | 2010-03-04 | — | — | US | disclosed |
| EP-2089395-A2 | NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UnibioScreen S.A. (BE) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008043846-A2 | NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UNIBIOSCREEN SA (BE) | 2008-04-17 | — | — | WO | disclosed |
| US-20070232659-A1 | Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors | NEUROSEARCH A/S (DK) | 2007-10-04 | — | — | US | disclosed |
| EP-1761518-A1 | NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005123715-A1 | NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2005-12-29 | — | — | WO | disclosed |