⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2409661 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3065565 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL21815558 | 0.98 | — | — | |
| SCHEMBL2884871 | 0.66 | KDM4E (0.39) | — | |
| SCHEMBL19348395 | 0.64 | — | — | |
| SCHEMBL10969759 | 0.60 | — | — | |
| SCHEMBL30196745 | 0.59 | — | — | |
| SCHEMBL30915787 | 0.59 | — | — | |
| SCHEMBL18340055 | 0.58 | — | — | |
| SCHEMBL473740 | 0.58 | — | — |
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-3856747-B1 | SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | HOFFMANN LA ROCHE (CH) | 2023-07-19 | — | — | EP | disclosed |
| US-20080159958-A1 | DETERMINATION OF HISTAMINE-3 BIOACTIVITY | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | US | disclosed |