⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4603961 | 0.89 | HRH4 (0.51) | — | |
| SCHEMBL7158594 | 0.81 | — | — | |
| SCHEMBL4605470 | 0.78 | MEN1 (0.45) | — | |
| SCHEMBL1331771 | 0.78 | MEN1 (0.38) | — | |
| SCHEMBL19974655 | 0.76 | ELANE (0.41) | — | |
| SCHEMBL13134160 | 0.76 | MEN1 (0.40) | — | |
| SCHEMBL19974669 | 0.76 | ELANE (0.38) | — | |
| SCHEMBL19975111 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL13134162 | 0.75 | KMT2A (0.36) | — | |
| SCHEMBL19974705 | 0.74 | CYP19A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |
| EP-1954760-A2 | CATALYTICALLY ACTIVE COMPOSITION, MEMBRANE-ELECTRODE UNIT COMPRISING THE SAME, AND CATALYST COMPRISING/MADE OF THE SAME | Universität Bremen (DE) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007031346-A2 | CATALYTICALLY ACTIVE COMPOSITION, MEMBRANE-ELECTRODE UNIT COMPRISING THE SAME, AND CATALYST COMPRISING/MADE OF THE SAME | UNIVERSITÄT BREMEN (DE) | 2007-03-22 | — | — | WO | disclosed |