⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2971432 | 0.77 | — | — | |
| SCHEMBL15830376 | 0.74 | — | — | |
| SCHEMBL24950171 | 0.72 | — | — | |
| SCHEMBL17274215 | 0.70 | — | — | |
| SCHEMBL8364339 | 0.70 | — | — | |
| SCHEMBL24313178 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL25588780 | 0.70 | — | — | |
| SCHEMBL2106440 | 0.70 | — | — | |
| SCHEMBL3192012 | 0.69 | MCL1 (0.43) | — | |
| SCHEMBL640091 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3495354-A1 | IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF | Shandong Luye Pharmaceutical Co., Ltd. (CN) | 2019-06-12 | — | — | EP | disclosed |
| US-20180200375-A1 | COMPOSITIONS AND METHODS RELATING TO SALTS OF SPECIALIZED PRO-RESOLVING MEDIATORS | THETIS PHARMACEUTICALS LLC (US) | 2018-07-19 | — | — | US | disclosed |
| US-9724321-B2 | Histone deacetylase inhibitors | PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) | 2017-08-08 | — | — | US | disclosed |
| US-20160143874-A1 | HISTONE DEACETYLASE INHIBITORS | DANA-FARBER CANCER INSTITUTE, INC. | 2016-05-26 | — | — | US | disclosed |