⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL198882 | 0.94 | — | — | |
| SCHEMBL28355641 | 0.92 | THRB (0.30) | — | |
| Hydrochloric Acid SCHEMBL4809135 | 0.92 | — | — | |
| SCHEMBL198316 | 0.92 | THRB (0.30) | — | |
| SCHEMBL981796 | 0.92 | THRB (0.30) | — | |
| Hydrochloric Acid SCHEMBL9797542 | 0.90 | — | — | |
| SCHEMBL28495093 | 0.88 | — | — | |
| SCHEMBL3446752 | 0.87 | — | — | |
| SCHEMBL14879619 | 0.85 | — | — | |
| SCHEMBL146689 | 0.83 | TSHR (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6383274-B1 | Ink jet ink compositions and printing processes | XEROX CORPORATION | 2002-05-07 | — | — | US | claimed |
| WO-2019163178-A1 | METHOD FOR PRODUCING 4,5-DICYANO-2-(FLUOROALKYL)IMIDAZOLE | 日本曹達株式会社 | 2019-08-29 | — | — | WO | disclosed |
| US-6383274-B1 | Ink jet ink compositions and printing processes | XEROX CORPORATION | 2002-05-07 | — | — | US | disclosed |
| US-6264929-B1 | COMPLEX | WELLA AKTIENGESELLSCHAFT (DE) | 2001-07-24 | — | — | US | disclosed |