⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1134704 | 0.62 | CYP3A4 (0.48) | — | |
| SCHEMBL14417491 | 0.62 | ABCG2 (1.00) | — | |
| SCHEMBL4424499 | 0.62 | — | — | |
| SCHEMBL8711 | 0.62 | — | — | |
| Methane SCHEMBL23532210 | 0.60 | ABCG2 (0.93) | — | |
| SCHEMBL981783 | 0.60 | — | — | |
| SCHEMBL3076375 | 0.60 | — | — | |
| SCHEMBL474616 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL21296905 | 0.58 | ABCG2 (0.88) | — | |
| SCHEMBL16472556 | 0.58 | CYP3A4 (0.44) | — |
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-9902804-B2 | Donor-acceptor compositions to achieve high contrast broadly absorbing electrochromic polymers | GEORGIA TECH RESEARCH CORPORATION (US) | 2018-02-27 | — | — | US | disclosed |
| US-20160244553-A1 | Donor-Acceptor Compositions to Achieve High Contrast Broadly Absorbing Electrochromic Polymers | GEORGIA TECH RESEARCH CORPORATION | 2016-08-25 | — | — | US | disclosed |