⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19351893 | 0.88 | — | — | |
| SCHEMBL31290789 | 0.71 | ATM (0.37) | — | |
| SCHEMBL19351826 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL20044004 | 0.70 | — | — | |
| SCHEMBL20050520 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL11480603 | 0.68 | ATM (0.36) | — | |
| SCHEMBL30983774 | 0.68 | ATM (0.36) | — | |
| SCHEMBL24829509 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL5655492 | 0.65 | MEN1 (0.32) | — | |
| SCHEMBL2832396 | 0.65 | MAPT (0.37) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9837613-B2 | Conjugated polymers | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |
| US-9837613-B2 | Conjugated polymers | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |
| US-20170327634-A1 | PREPARATION OF POLYMERS COMPRISING AT LEAST ONE BENZO[C][1,2,5]THIADIAZOL-5,6-DICARBONITRILE-UNIT | BASF SE (DE) | 2017-11-16 | — | — | US | disclosed |
| WO-2016083303-A1 | PREPARATION OF POLYMERS COMPRISING AT LEAST ONE BENZO[C][1,2,5]THIADIAZOL-5,6-DICARBONITRILE-UNIT | BASF SE (DE) | 2016-06-02 | — | — | WO | disclosed |
| US-9153784-B2 | Conjugated polymers | MERCK PATENT GMBH (DE) | 2015-10-06 | — | — | US | disclosed |
| US-9153784-B2 | Conjugated polymers | MERCK PATENT GMBH (DE) | 2015-10-06 | — | — | US | disclosed |
| US-20150270490-A1 | CONJUGATED POLYMERS | MERCK PATENT GMBH (DE) | 2015-09-24 | — | — | US | disclosed |
| US-20150270490-A1 | CONJUGATED POLYMERS | MERCK PATENT GMBH (DE) | 2015-09-24 | — | — | US | disclosed |
| US-20130161567-A1 | CONJUGATED POLYMERS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-27 | — | — | US | disclosed |
| US-20130161567-A1 | CONJUGATED POLYMERS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-27 | — | — | US | disclosed |
| WO-2012028246-A1 | CONJUGATED POLYMERS | MERCK PATENT GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |