⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4906344 | 1.00 | — | — | |
| SCHEMBL9398 | 1.00 | — | — | |
| Fluoride SCHEMBL28168198 | 1.00 | — | — | |
| Lithium SCHEMBL11159391 | 0.97 | — | — | |
| SCHEMBL28300924 | 0.97 | — | — | |
| Water SCHEMBL1602456 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27300709 | 0.97 | — | — | |
| SCHEMBL10363928 | 0.97 | — | — | |
| SCHEMBL3310322 | 0.97 | — | — | |
| Hydrogen Sulfide SCHEMBL27674570 | 0.97 | — | — |
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-9238619-B2 | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-01-19 | — | — | US | disclosed |
| US-20140256701-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-09-11 | — | — | US | disclosed |