⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11731881 | 1.00 | — | — | |
| SCHEMBL14191783 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11491266 | 0.97 | — | — | |
| SCHEMBL7623417 | 0.92 | — | — | |
| SCHEMBL10070969 | 0.92 | — | — | |
| SCHEMBL7627634 | 0.90 | — | — | |
| SCHEMBL18377911 | 0.90 | FKBP5 (0.39) | — | |
| SCHEMBL8949672 | 0.76 | GABRP (0.34) | — | |
| SCHEMBL8224750 | 0.72 | — | — | |
| SCHEMBL3611951 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180098967-A1 | CLONIDINE AND/OR CLONIDINE DERIVATIVES FOR USE IN THE PREVENTION OF SKIN INJURY RESULTING FROM RADIOTHERAPY | Monopar Therapeutics Inc. | 2018-04-12 | — | — | US | disclosed |
| US-8815923-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2014-08-26 | — | — | US | disclosed |
| US-20130217739-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2013-08-22 | — | — | US | disclosed |
| US-8486969-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8426454-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2013-04-23 | — | — | US | disclosed |
| US-20110178144-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2011-07-21 | — | — | US | disclosed |
| US-20110178143-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2011-07-21 | — | — | US | disclosed |
| US-20110039864-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2011-02-17 | — | — | US | disclosed |