⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17051019 | 0.99 | — | — | |
| SCHEMBL17051002 | 0.95 | — | — | |
| SCHEMBL17714597 | 0.95 | — | — | |
| SCHEMBL17051013 | 0.94 | — | — | |
| SCHEMBL17051011 | 0.93 | — | — | |
| SCHEMBL16353194 | 0.93 | ALDH1A1 (0.35) | — | |
| SCHEMBL17714598 | 0.93 | — | — | |
| SCHEMBL17051018 | 0.92 | — | — | |
| SCHEMBL17051017 | 0.92 | — | — | |
| SCHEMBL17051012 | 0.90 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170033304-A1 | PHOTOVOLTAIC ELEMENT | TORAY INDUSTRIES, INC. (JP) | 2017-02-02 | — | — | US | disclosed |
| US-9331282-B2 | Conjugated polymer, and electron donating organic material, material for photovoltaic device and photovoltaic device using the conjugated polymer | TORAY INDUSTRIES, INC. (JP) | 2016-05-03 | — | — | US | disclosed |