⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14980588 | 0.87 | — | — | |
| SCHEMBL14980589 | 0.87 | — | — | |
| SCHEMBL20216922 | 0.85 | TDP1 (0.40) | — | |
| SCHEMBL1144943 | 0.85 | TDP1 (0.40) | — | |
| SCHEMBL24572104 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL14980610 | 0.83 | KDM4E (0.32) | — | |
| Hydroxyamine SCHEMBL6517648 | 0.83 | TDP1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL29482286 | 0.83 | TDP1 (0.38) | — | |
| SCHEMBL24587929 | 0.82 | KMT2A (0.33) | — | |
| Edetol SCHEMBL10874369 | 0.81 | TDP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5709737-A | AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES | XEROX CORPORATION (US) | 1998-01-20 | — | — | US | claimed |