⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6048377 | 0.74 | — | — | |
| SCHEMBL14751583 | 0.72 | TDP1 (0.32) | — | |
| SCHEMBL1414793 | 0.72 | — | — | |
| SCHEMBL6259490 | 0.72 | — | — | |
| SCHEMBL25097708 | 0.71 | POLB (0.33) | — | |
| SCHEMBL10779796 | 0.70 | — | — | |
| SCHEMBL9287028 | 0.70 | TDP1 (0.39) | — | |
| SCHEMBL5540161 | 0.70 | TDP1 (0.39) | — | |
| SCHEMBL13859382 | 0.69 | — | — | |
| SCHEMBL16643143 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3715351-A1 | METAL COMPLEXES FOR GAS PHASE THIN FILM SEPARATION | UMICORE AG & CO. KG (DE) | 2020-09-30 | — | — | EP | disclosed |
| EP-2310401-B1 | UNIVERSAL METHYLATION PROFILING METHODS | UNIV COLUMBIA (US) | 2015-11-25 | — | — | EP | disclosed |
| US-20110177508-A1 | UNIVERSAL METHYLATION PROFILING METHODS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2011-07-21 | — | — | US | disclosed |
| EP-0959069-B1 | A process for the preparation of 13-CIS-retinoic acid | LAB MAG SPA (IT) | 2002-10-16 | — | — | EP | disclosed |
| US-6177579-B1 | STARTING FROM VINYL-BETA-IONOL PREPARED FROM IONONE AND VINYL MAGNESIUM HALIDES; ANTIACNE COMPOUNDS | LABORATORI MAG S.P.A. (IT) | 2001-01-23 | — | — | US | disclosed |
| US-5998635-A | CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1999-12-07 | — | — | US | disclosed |
| EP-0959069-A1 | A process for the preparation of 13-CIS-retinoic acid | LABORATORI MAG S.p.A. (IT) | 1999-11-24 | — | — | EP | disclosed |
| EP-0510602-B1 | Living polymerization method | KANSAI PAINT CO LTD (JP) | 1996-06-26 | — | — | EP | disclosed |
| US-5328970-A | Porphyrin complex as catalyst with organo aluminum compounds for polymerization | KANSAI PAINT CO., LTD. (JP) | 1994-07-12 | — | — | US | disclosed |
| EP-0510602-A1 | Living polymerization method | KANSAI PAINT CO., LTD. (JP) | 1992-10-28 | — | — | EP | disclosed |