⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4380435 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL10819165 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL3723707 | 0.70 | HIF1A (0.32) | — | |
| SCHEMBL15478655 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL18881181 | 0.68 | — | — | |
| SCHEMBL21099641 | 0.66 | — | — | |
| SCHEMBL5415498 | 0.66 | — | — | |
| SCHEMBL276116 | 0.66 | — | — | |
| SCHEMBL19867154 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL28163117 | 0.64 | LMNA (0.32) | — |
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-2022150637-A1 | NOVEL STEROID PAYLOADS, STEROID LINKERS, ADCs CONTAINING AND USE THEREOF | IMMUNEXT, INC. (US) | 2022-07-14 | — | — | WO | disclosed |
| EP-3245213-B1 | BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING | BRISTOL MYERS SQUIBB CO (US) | 2020-03-04 | — | — | EP | disclosed |