⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL524091 | 1.00 | — | — | |
| SCHEMBL19198293 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL578387 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL1046484 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL29352443 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL29921649 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL56483 | 0.74 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL5608929 | 0.72 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL5608937 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL524548 | 0.71 | CYP1A2 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012013310-A1 | POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | claimed |
| WO-2010149258-A1 | POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING SAID POLYMERS, AND DEVICE COMPRISING SAID POLYMERS OR BLENDS | MERCK PATENT GMBH (DE) | 2010-12-29 | — | — | WO | claimed |
| WO-2012013310-A1 | POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | disclosed |
| WO-2010149258-A1 | POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING SAID POLYMERS, AND DEVICE COMPRISING SAID POLYMERS OR BLENDS | MERCK PATENT GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |