⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11330618 | 0.81 | — | — | |
| Methane SCHEMBL8417513 | 0.74 | — | — | |
| SCHEMBL1516928 | 0.72 | — | — | |
| SCHEMBL9388781 | 0.69 | — | — | |
| SCHEMBL7690398 | 0.65 | — | — | |
| SCHEMBL10078640 | 0.65 | — | — | |
| SCHEMBL643645 | 0.63 | — | — | |
| SCHEMBL3936228 | 0.63 | — | — | |
| SCHEMBL7287410 | 0.60 | — | — | |
| SCHEMBL179855 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588467-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY | Amgen Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003274-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY | AMGEN INC. (US) | 2012-01-05 | — | — | WO | disclosed |
| EP-0373836-B1 | Improvements in or relating to serotonin and norepinephrine uptake inhibitors | LILLY CO ELI (US) | 1994-03-16 | — | — | EP | disclosed |
| EP-0373836-A1 | Improvements in or relating to serotonin and norepinephrine uptake inhibitors | ELI LILLY AND COMPANY (US) | 1990-06-20 | — | — | EP | disclosed |
| US-4902710-A | THIO-, SULFINYL-, OR SULFONYL-PROPANAMINES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS; NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1990-02-20 | — | — | US | disclosed |