⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL138622 | 0.71 | ADORA2A (0.36) | — | |
| SCHEMBL29357583 | 0.71 | ADORA2A (0.36) | — | |
| SCHEMBL8321356 | 0.70 | — | — | |
| SCHEMBL20698420 | 0.65 | ADORA2A (0.39) | — | |
| SCHEMBL20698663 | 0.62 | ADORA2A (0.38) | — | |
| SCHEMBL20698656 | 0.62 | ADORA2A (0.38) | — | |
| SCHEMBL21593097 | 0.61 | MASP2 (0.40) | — | |
| SCHEMBL881760 | 0.61 | — | — | |
| SCHEMBL4403016 | 0.57 | — | — | |
| SCHEMBL2822410 | 0.57 | — | — |
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-8852320-B2 | Preparation of metal-triazolate frameworks | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-07 | — | — | US | claimed |
| US-20120186449-A1 | PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-07-26 | — | — | US | claimed |
| US-20220213137-A1 | COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS | SAGE THERAPEUTICS, INC. | 2022-07-07 | — | — | US | disclosed |
| US-20200392177-A1 | COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS | SAGE THERAPEUTICS, INC. | 2020-12-17 | — | — | US | disclosed |
| US-8852320-B2 | Preparation of metal-triazolate frameworks | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-07 | — | — | US | disclosed |
| US-20120186449-A1 | PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-07-26 | — | — | US | disclosed |