⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29649650 | 1.00 | — | — | |
| SCHEMBL27275825 | 0.80 | IDO1 (0.45) | — | |
| SCHEMBL1155525 | 0.79 | IDO1 (0.43) | — | |
| SCHEMBL4489558 | 0.78 | — | — | |
| SCHEMBL11983401 | 0.76 | RAB9A (0.44) | — | |
| SCHEMBL30297732 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL12569419 | 0.75 | IDO1 (0.43) | — | |
| SCHEMBL10366086 | 0.75 | IDO1 (0.43) | — | |
| SCHEMBL27977295 | 0.75 | MAPK1 (0.57) | — | |
| SCHEMBL13654974 | 0.75 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2024129395-A1 | BTK INHIBITORS | GWYNANT THERAPEUTICS, INC. (US) | 2024-06-20 | — | — | WO | disclosed |
| US-20220162169-A1 | 6-OXO-1,6-DIHYDROPYRIDAZINE PRODRUG DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE | JIANGSU HENGRUI MEDICINE CO., LTD. (CN) | 2022-05-26 | — | — | US | disclosed |