⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8717238 | 0.92 | DNM1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8719778 | 0.90 | EPHX2 (0.30) | — | |
| SCHEMBL12350081 | 0.74 | CA12 (0.40) | — | |
| SCHEMBL20527530 | 0.73 | DNM1 (0.35) | — | |
| SCHEMBL17367643 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL7027230 | 0.69 | CA12 (0.38) | — | |
| SCHEMBL7035338 | 0.68 | CA12 (0.41) | — | |
| SCHEMBL8719781 | 0.67 | DNM1 (0.33) | — | |
| SCHEMBL28220429 | 0.67 | NOS3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL8717388 | 0.66 | DNM1 (0.32) | — |
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-5726856-A | Hexasubstituted guanidinium salts and ultracapacitors employing them as electrolytes | GENERAL ELECTRIC COMPANY (US) | 1998-03-10 | — | — | US | disclosed |