⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9965490 | 0.81 | MCL1 (0.39) | — | |
| SCHEMBL13645695 | 0.77 | MCL1 (0.31) | — | |
| SCHEMBL19465304 | 0.74 | MCL1 (0.32) | — | |
| SCHEMBL9197345 | 0.72 | MCL1 (0.33) | — | |
| SCHEMBL13670700 | 0.71 | — | — | |
| SCHEMBL11477580 | 0.71 | — | — | |
| SCHEMBL14773217 | 0.71 | — | — | |
| SCHEMBL2760175 | 0.71 | MCL1 (0.32) | — | |
| SCHEMBL7746821 | 0.71 | MCL1 (0.36) | — | |
| SCHEMBL7746825 | 0.71 | MCL1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0639192-B1 | (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS | JANSSEN PHARMACEUTICA NV (BE) | 1996-05-15 | — | — | EP | disclosed |
| WO-1993017017-A1 | [(BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-02 | — | — | WO | disclosed |