⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6111365 | 1.00 | — | — | |
| SCHEMBL6204822 | 1.00 | — | — | |
| SCHEMBL6111674 | 1.00 | — | — | |
| SCHEMBL4974553 | 0.77 | SLC6A3 (0.36) | — | |
| SCHEMBL6226662 | 0.77 | SLC6A3 (0.36) | — | |
| SCHEMBL23603002 | 0.76 | — | — | |
| SCHEMBL4838694 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5559301 | 0.76 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL5559307 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL15166346 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2694532-B1 | AUREOBASIDIN DERIVATIVES AND METHODS OF SYNTHESIS | AUREOGEN BIOSCIENCES INC (US) | 2021-04-21 | — | — | EP | disclosed |
| US-8980934-B2 | Kinase inhibitors and method of treating cancer with same | UNIVERSITY HEALTH NETWORK (CA) | 2015-03-17 | — | — | US | disclosed |
| US-20140005167-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORKS (CA) | 2014-01-02 | — | — | US | disclosed |
| US-5342848-A | Relaxation of vascular smooth muscle | RHONE-POULENC RORER LIMITED (GB) | 1994-08-30 | — | — | US | disclosed |
| WO-1991012242-A1 | THIOFORMAMIDE DERIVATIVES | RHONE-POULENC RORER S.A. (FR) | 1991-08-22 | — | — | WO | disclosed |