⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4314202 | 0.81 | — | — | |
| SCHEMBL1148334 | 0.79 | HTR1A (0.40) | — | |
| SCHEMBL3391323 | 0.78 | HTR1A (0.56) | — | |
| SCHEMBL355889 | 0.74 | HTR1A (0.53) | — | |
| SCHEMBL6889648 | 0.72 | HTR1A (0.50) | — | |
| SCHEMBL1704306 | 0.69 | — | — | |
| SCHEMBL20250954 | 0.69 | HTR1A (0.48) | — | |
| SCHEMBL15907944 | 0.69 | HTR1A (0.48) | — | |
| SCHEMBL10396090 | 0.69 | HTR1A (0.48) | — | |
| SCHEMBL10396554 | 0.69 | HTR1A (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180125992-A1 | DRUG DELIVERY CONJUGATES OF TERTIARY AMINE CONTAINING DRUGS | ENDOCYTE, INC. | 2018-05-10 | — | — | US | disclosed |
| US-20180125992-A1 | DRUG DELIVERY CONJUGATES OF TERTIARY AMINE CONTAINING DRUGS | ENDOCYTE, INC. | 2018-05-10 | — | — | US | disclosed |
| WO-2003006434-A1 | METAL COMPLEXES FOR USE IN BORON NEUTRON CAPTURE THERAPY | THE UNIVERSITY OF ADELAIDE (AU) | 2003-01-23 | — | — | WO | disclosed |