⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1681584 | 0.84 | — | — | |
| SCHEMBL6926646 | 0.84 | — | — | |
| SCHEMBL6287549 | 0.81 | CYP1A2 (0.33) | — | |
| SCHEMBL1130845 | 0.77 | — | — | |
| SCHEMBL7638513 | 0.74 | — | — | |
| SCHEMBL3208050 | 0.73 | CYP1A2 (0.36) | — | |
| SCHEMBL6287249 | 0.73 | RGS4 (0.31) | — | |
| SCHEMBL22228240 | 0.72 | — | — | |
| SCHEMBL6287310 | 0.72 | HTR2C (0.31) | — | |
| SCHEMBL3209664 | 0.72 | ALDH1A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5969070-A | HOMOGENEOUS COMPOSITION FORMED FROM LINEAR OR BRANCHED CHAIN C3 TO C10 MONOMERS SUCH AS PROPYLENE, 1-BUTENE, 1-PENTENE, 4-METHYL-1-PENTENE, 1-HEXENE AND MIXTURES THEREOF, COMPRISING ALTERNATING ISOTACTIC AND ATACTIC DISASTEREOSEQUENCES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0802935-A4 | THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS | UNIV LELAND STANFORD JUNIOR (US) | 1998-09-30 | — | — | EP | disclosed |
| EP-0802935-A1 | THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1997-10-29 | — | — | EP | disclosed |
| US-5594080-A | POLYMERIZATION CATALYSIS OF METALLOCENES WITH CYCLOPENTADIENE AND METALS | LELAND STANFORD, JR. UNIVERSITY (US) | 1997-01-14 | — | — | US | disclosed |
| WO-1995025757-A1 | THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1995-09-28 | — | — | WO | disclosed |