⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1058822 | 0.81 | — | — | |
| SCHEMBL507355 | 0.76 | — | — | |
| SCHEMBL10031019 | 0.75 | PKM (0.51) | — | |
| SCHEMBL12597510 | 0.75 | KMT2A (0.45) | — | |
| SCHEMBL12126153 | 0.75 | ALOX15 (0.55) | — | |
| SCHEMBL10039948 | 0.75 | KMT2A (0.49) | — | |
| Hydrochloric Acid SCHEMBL241180 | 0.74 | GAA (0.50) | — | |
| SCHEMBL2836142 | 0.73 | KMT2A (0.63) | — | |
| SCHEMBL21699643 | 0.73 | KMT2A (0.47) | — | |
| SCHEMBL3469465 | 0.73 | KMT2A (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2614054-B1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2014-11-19 | — | — | EP | disclosed |