⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21916708 | 0.90 | KDM4E (0.39) | — | |
| SCHEMBL10296046 | 0.90 | KDM4E (0.39) | — | |
| SCHEMBL7522834 | 0.87 | CYP3A4 (0.40) | — | |
| SCHEMBL18012255 | 0.84 | KDM4E (0.64) | — | |
| SCHEMBL13234198 | 0.82 | KDM4E (0.34) | — | |
| SCHEMBL23691561 | 0.79 | — | — | |
| SCHEMBL22605598 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL19900805 | 0.77 | — | — | |
| SCHEMBL410868 | 0.77 | — | — | |
| SCHEMBL31297968 | 0.75 | KDM4E (0.55) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |
| US-10039762-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-08-07 | — | — | US | disclosed |
| US-20180078553-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED | 2018-03-22 | — | — | US | disclosed |
| EP-2927214-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |
| EP-3083597-B1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS | GRUENENTHAL GMBH (DE) | 2017-11-22 | — | — | EP | disclosed |
| US-9783573-B2 | IAP antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-10 | — | — | US | disclosed |
| US-9701689-B2 | Substituted pyridines and pyridazines as CCR10 receptor inhibitors | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2017-07-11 | — | — | US | disclosed |
| US-20150322111-A1 | IAP ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2015-11-12 | — | — | US | disclosed |
| US-20150299214-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2015-10-22 | — | — | US | disclosed |