⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4652702 | 0.73 | — | — | |
| SCHEMBL17265901 | 0.69 | — | — | |
| SCHEMBL9979781 | 0.47 | — | — | |
| SCHEMBL8190666 | 0.46 | — | — | |
| SCHEMBL20721695 | 0.45 | BACE1 (0.33) | — | |
| SCHEMBL23223061 | 0.43 | BACE1 (0.31) | — | |
| SCHEMBL9979780 | 0.43 | MAPT (0.46) | — | |
| SCHEMBL3817409 | 0.43 | — | — | |
| SCHEMBL127131 | 0.43 | — | — | |
| SCHEMBL20698420 | 0.41 | ADORA2A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200321533-A1 | COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS | THE SCRIPPS RESEARCH INSTITUTE | 2020-10-08 | — | — | US | disclosed |
| US-20180212158-A1 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2018-07-26 | — | — | US | disclosed |
| US-20170244049-A1 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-08-24 | — | — | US | disclosed |
| WO-2017011531-A2 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-01-19 | — | — | WO | disclosed |
| WO-2015175678-A1 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-11-19 | — | — | WO | disclosed |