⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23663696 | 1.00 | — | — | |
| SCHEMBL22010251 | 1.00 | — | — | |
| SCHEMBL2409660 | 1.00 | — | — | |
| SCHEMBL1222706 | 1.00 | — | — | |
| SCHEMBL1222704 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL21815557 | 0.98 | HRH4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL31208797 | 0.98 | HRH4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3065564 | 0.98 | HRH4 (0.32) | — | |
| SCHEMBL22778649 | 0.86 | HRH4 (0.39) | — | |
| SCHEMBL15338322 | 0.86 | MBTD1 (0.34) | — |
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-2024141757-A1 | LSD1 MODULATORS | EXSCIENTIA AI LIMITED (GB) | 2024-07-04 | — | — | WO | disclosed |
| US-20150246934-A1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2015-09-03 | — | — | US | disclosed |
| US-20080159958-A1 | DETERMINATION OF HISTAMINE-3 BIOACTIVITY | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | US | disclosed |