⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24350495 | 0.74 | — | — | |
| SCHEMBL8707631 | 0.74 | — | — | |
| SCHEMBL7876647 | 0.72 | — | — | |
| SCHEMBL5061919 | 0.72 | — | — | |
| SCHEMBL28811245 | 0.70 | — | — | |
| SCHEMBL24784927 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28667262 | 0.69 | GBA1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8805610 | 0.69 | — | — | |
| SCHEMBL11471085 | 0.69 | — | — | |
| SCHEMBL26581932 | 0.69 | CTSS (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2432464-B1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | INNOVATION PHARMACEUTICALS INC (US) | 2019-01-09 | — | — | EP | disclosed |
| EP-2432464-A2 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Cellceutix Corporation (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135170-A2 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | WO | disclosed |