⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56994 | 0.87 | TSHR (0.50) | — | |
| SCHEMBL1447146 | 0.85 | TSHR (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL1579461 | 0.85 | TSHR (0.48) | — | |
| SCHEMBL3512713 | 0.84 | L3MBTL1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL4056528 | 0.84 | TSHR (0.43) | — | |
| SCHEMBL4401518 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL25008385 | 0.81 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL7933198 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL7933852 | 0.79 | TSHR (0.47) | — | |
| Hydrochloric Acid SCHEMBL22634696 | 0.79 | SMN1; SMN2 (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4022624-A | N-(AMINOALKYL)-LACTAM | FUJI PHOTO FILM CO., LTD. (JA) | 1977-05-10 | — | — | US | claimed |
| US-10844052-B2 | LLS compounds for treatment of cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-11-24 | — | — | US | disclosed |
| US-20190256503-A1 | LLS COMPOUNDS FOR TREATMENT OF CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2019-08-22 | — | — | US | disclosed |
| US-4022624-A | N-(AMINOALKYL)-LACTAM | FUJI PHOTO FILM CO., LTD. (JA) | 1977-05-10 | — | — | US | disclosed |