⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17898320 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL12312704 | 0.74 | HTT (0.31) | — | |
| SCHEMBL6663326 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL1942661 | 0.72 | — | — | |
| SCHEMBL10036489 | 0.72 | CHRM2 (0.37) | — | |
| SCHEMBL3569489 | 0.72 | — | — | |
| SCHEMBL4774239 | 0.72 | — | — | |
| SCHEMBL1644988 | 0.72 | — | — | |
| SCHEMBL18101808 | 0.70 | FFAR1 (0.51) | — | |
| SCHEMBL25165538 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170081289-A1 | CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF | FUJI CHEMICAL INDUSTRIES CO., LTD. (JP) | 2017-03-23 | — | — | US | disclosed |
| US-9062066-B2 | Anti-inflammatory compound having inhibitory activity against multiple tyrosine kinases and pharmaceutical composition containing same | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2015-06-23 | — | — | US | disclosed |
| US-20130072482-A1 | ANTI-INFLAMMATORY COMPOUND HAVING INHIBITORY ACTIVITY AGAINST MULTIPLE TYROSINE KINASES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | PHAROSBIOMED CO., LTD. (KR) | 2013-03-21 | — | — | US | disclosed |
| US-20130005988-A1 | 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS | GALLEY GUIDO (DE) | 2013-01-03 | — | — | US | disclosed |
| US-20120129818-A1 | Compositions and Methods for Treatment of Cardiovascular Disease | CARMEL BIOSCIENCES, INC. | 2012-05-24 | — | — | US | disclosed |
| US-20110052674-A1 | ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | US | disclosed |