⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2111283 | 0.70 | HDAC8 (0.30) | — | |
| SCHEMBL31161313 | 0.70 | — | — | |
| SCHEMBL714637 | 0.68 | — | — | |
| SCHEMBL193574 | 0.67 | CA2 (0.33) | — | |
| SCHEMBL9455886 | 0.65 | — | — | |
| SCHEMBL2259452 | 0.65 | AHR (0.32) | — | |
| SCHEMBL1010127 | 0.65 | — | — | |
| SCHEMBL190969 | 0.64 | GRIN2D (0.37) | — | |
| SCHEMBL2111397 | 0.64 | — | — | |
| SCHEMBL11956568 | 0.64 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |
| US-20160060262-A1 | Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof | GENENTECH, INC. (US) | 2016-03-03 | — | — | US | disclosed |
| US-20160060262-A1 | Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof | GENENTECH, INC. (US) | 2016-03-03 | — | — | US | disclosed |
| US-9206175-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2015-12-08 | — | — | US | disclosed |
| US-9206175-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2015-12-08 | — | — | US | disclosed |
| US-20140088076-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-20140088076-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-8623889-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| US-8623889-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| EP-2651899-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-20120322785-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2012-12-20 | — | — | US | disclosed |
| US-20120322785-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2012-12-20 | — | — | US | disclosed |
| WO-2012080284-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-21 | — | — | WO | disclosed |