⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL152133 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8915319 | 0.98 | NPC1 (0.44) | — | |
| Formaldehyde SCHEMBL27984147 | 0.94 | TSHR (0.43) | — | |
| Pyridine SCHEMBL13505260 | 0.92 | GABRA5 (0.42) | — | |
| SCHEMBL28197632 | 0.90 | NPC1 (0.40) | — | |
| Formic Acid SCHEMBL27529182 | 0.88 | TSHR (0.43) | — | |
| Isothiocyanate SCHEMBL28427048 | 0.88 | NPC1 (0.39) | — | |
| Benzene SCHEMBL28024094 | 0.85 | MAPT (0.40) | — | |
| Ethoxycarbonyl Group SCHEMBL27939991 | 0.85 | TSHR (0.38) | — | |
| Phenylboronic Acid SCHEMBL14914122 | 0.84 | ENPP2 (0.47) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12630533-B2 | Heterocyclic compounds useful as KCNT1 inhibitors | ACTIO BIOSCIENCES, INC. (US) | 2026-05-19 | — | — | US | disclosed |
| EP-4630410-A1 | POLQ INHIBITORS | Astrazeneca AB (SE) | 2025-10-15 | — | — | EP | disclosed |
| US-20250313548-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS KCNT1 INHIBITORS | ACTIO BIOSCIENCES, INC. | 2025-10-09 | — | — | US | disclosed |
| US-12187742-B2 | Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy | XRAD THERAPEUTICS, INC. (US) | 2025-01-07 | — | — | US | disclosed |
| WO-2024121753-A1 | POLQ INHIBITORS | ASTRAZENECA AB (SE) | 2024-06-13 | — | — | WO | disclosed |
| US-20220315606-A1 | DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY | XRAD HOLDING CAYMAN LIMITED (KY) | 2022-10-06 | — | — | US | disclosed |