⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19798957 | 0.91 | BCHE (0.35) | — | |
| SCHEMBL12879227 | 0.90 | MAPT (0.30) | — | |
| SCHEMBL13391543 | 0.87 | — | — | |
| SCHEMBL17464288 | 0.81 | — | — | |
| SCHEMBL413771 | 0.77 | PKM (0.38) | — | |
| SCHEMBL20052041 | 0.76 | — | — | |
| SCHEMBL11974081 | 0.76 | MAPT (0.31) | — | |
| SCHEMBL11974084 | 0.76 | MAPT (0.31) | — | |
| SCHEMBL11974087 | 0.76 | MAPT (0.31) | — | |
| SCHEMBL25723459 | 0.76 | SMN1; SMN2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | IYER PRAVIN (US) | 2012-03-15 | — | — | US | disclosed |
| US-8084623-B2 | heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents | ROCHE PALO ALTO LLC (US) | 2011-12-27 | — | — | US | disclosed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | disclosed |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |