⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14534727 | 1.00 | — | — | |
| SCHEMBL4699029 | 1.00 | — | — | |
| SCHEMBL1316373 | 1.00 | — | — | |
| SCHEMBL15542335 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL14737642 | 0.97 | KDM4E (0.35) | — | |
| Hydrochloric Acid SCHEMBL7449603 | 0.97 | KDM4E (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL3900743 | 0.85 | OAT (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL15542135 | 0.85 | OAT (0.35) | — | |
| SCHEMBL15937904 | 0.85 | KDM4E (0.43) | — | |
| SCHEMBL14738047 | 0.85 | KDM4E (0.43) | — |
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-1416933-B1 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEM INC (US) | 2008-01-02 | — | — | EP | claimed |
| US-20160346402-A1 | ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-12-01 | — | — | US | disclosed |