⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11109530 | 0.97 | HTT (0.37) | — | |
| SCHEMBL9638094 | 0.85 | HTT (0.38) | — | |
| Nitric Acid SCHEMBL10792262 | 0.85 | HTR1A (0.35) | — | |
| SCHEMBL2114006 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL28088912 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL27705462 | 0.80 | EPHX1 (0.44) | — | |
| SCHEMBL11767372 | 0.80 | EPHX1 (0.44) | — | |
| SCHEMBL12927516 | 0.80 | HTT (0.35) | — | |
| SCHEMBL1457911 | 0.80 | — | — | |
| SCHEMBL4782050 | 0.80 | HTT (0.35) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9879025-B2 | Transfer hydrogenation of cyclopamine analogs | INFINITY PHARMACEUTICALS, INC. (US) | 2018-01-30 | — | — | US | disclosed |
| US-20170029433-A1 | TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS | ROYALTY SECURITY, LLC | 2017-02-02 | — | — | US | disclosed |
| US-20170029433-A1 | TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS | ROYALTY SECURITY, LLC | 2017-02-02 | — | — | US | disclosed |
| US-9394313-B2 | Transfer hydrogenation of cyclopamine analogs | INFINITY PHARMACEUTICALS, INC. (US) | 2016-07-19 | — | — | US | disclosed |
| US-9376447-B2 | Transfer hydrogenation of cyclopamine analogs | INFINITY PHARMACEUTICALS, INC. (US) | 2016-06-28 | — | — | US | disclosed |
| US-20130045963-A1 | Cyclohexyl Azetidine Derivatives as JAK Inhibitors | INCYTE CORPORATION (US) | 2013-02-21 | — | — | US | disclosed |
| US-20120065400-A1 | Transfer Hydrogenation of Cyclopamine Analogs | INFINITY PHARMACEUTICALS, INC. (US) | 2012-03-15 | — | — | US | disclosed |
| US-20120065399-A1 | Transfer Hydrogenation of Cyclopamine Analogs | INFINITY PHARMACEUTICALS, INC. (US) | 2012-03-15 | — | — | US | disclosed |
| EP-0705637-B1 | Process for removing carbon dioxide from gases | KANSAI ELECTRIC POWER CO (JP) | 2001-09-19 | — | — | EP | disclosed |
| US-3961117-A | Antistatic carpet and method for manufacturing same | HERCULITE PROTECTIVE FABRICS CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |