⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28774451 | 0.93 | HTT (0.35) | — | |
| Hydrochloric Acid SCHEMBL10751412 | 0.91 | HTT (0.34) | — | |
| SCHEMBL28058906 | 0.84 | — | — | |
| SCHEMBL9036814 | 0.83 | — | — | |
| SCHEMBL132799 | 0.81 | — | — | |
| SCHEMBL335433 | 0.81 | — | — | |
| SCHEMBL299670 | 0.81 | — | — | |
| SCHEMBL14509625 | 0.81 | ALOX15 (0.35) | — | |
| SCHEMBL14300533 | 0.81 | — | — | |
| SCHEMBL7026183 | 0.79 | HTT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2515648-A1 | METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS | Novomer, Inc. (US) | 2012-10-31 | — | — | EP | claimed |
| WO-2011079041-A1 | METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS | NOVOMER, INC. (US) | 2011-06-30 | — | — | WO | claimed |
| US-20240417387-A1 | SULFONYLPIPERAZINYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS | HOFFMANN-LA ROCHE INC. (US) | 2024-12-19 | — | — | US | disclosed |