⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27856546 | 0.97 | TSHR (0.33) | — | |
| SCHEMBL11236256 | 0.69 | — | — | |
| SCHEMBL1960185 | 0.67 | — | — | |
| SCHEMBL6271455 | 0.65 | — | — | |
| SCHEMBL1132483 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL1867216 | 0.63 | — | — | |
| Tetrylammonium SCHEMBL2196947 | 0.62 | TSHR (0.73) | — | |
| Hydrochloric Acid SCHEMBL28018964 | 0.62 | KDM4E (0.35) | — | |
| SCHEMBL9847507 | 0.60 | — | — | |
| Tetrylammonium SCHEMBL5701228 | 0.57 | TSHR (0.61) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114302892-B | Materials and methods for activating antigen-specific T cell responses | 西北大学 | 2025-02-21 | — | — | CN | disclosed |
| CN-119403808-A | Cyclin-dependent kinase 2 inhibitors for medical treatment | 因西克利克斯生物有限责任公司 | 2025-02-07 | — | — | CN | disclosed |
| CN-112912395-B | Anti-GDF 15 antibodies, compositions, and methods of use | 辉瑞公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-105307685-A | Pyrrolobenzodiazepines and conjugates thereof | SPIROGEN SARL | 2016-02-03 | — | — | CN | disclosed |
| CN-105142674-A | Pyrrolobenzodiazepines and conjugates thereof | MEDIMMUNE LTD | 2015-12-09 | — | — | CN | disclosed |
| CN-105102003-A | Pyrrolobenzodiazepine-anti-PSMA antibody conjugates | ADC THERAPEUTICS SARL | 2015-11-25 | — | — | CN | disclosed |
| CN-105050661-A | Pyrrolobenzodiazepine-antibody conjugates | ADC THERAPEUTICS S RL | 2015-11-11 | — | — | CN | disclosed |
| CN-104955485-A | Pyrrolobenzodiazepine-anti-her2 antibody conjugates | ADC THERAPEUTICS S RL | 2015-09-30 | — | — | CN | disclosed |