⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5316569 | 0.74 | — | — | |
| SCHEMBL21471648 | 0.74 | — | — | |
| SCHEMBL17646208 | 0.74 | — | — | |
| SCHEMBL17272433 | 0.74 | ADRA2A (0.33) | — | |
| SCHEMBL17272069 | 0.72 | HTT (0.38) | — | |
| SCHEMBL414929 | 0.71 | POLB (0.39) | — | |
| SCHEMBL17272067 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL10025619 | 0.70 | — | — | |
| SCHEMBL5731729 | 0.70 | — | — | |
| SCHEMBL23059657 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023064501-A1 | CONDUCTIVE POLYMER WITH COVALENT CAPTURE ABILITY AND METHODS OF USING SAME | DUKE UNIVERSITY (US) | 2023-04-20 | — | — | WO | disclosed |
| WO-2022254012-A1 | POLYTHIOPHENE/POLYANION COMPOSITIONS | AGFA-GEVAERT NV (BE) | 2022-12-08 | — | — | WO | disclosed |
| US-20190315988-A1 | CO-POLYMERS | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) | 2019-10-17 | — | — | US | disclosed |