⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29540353 | 1.00 | — | — | |
| SCHEMBL8721546 | 0.80 | — | — | |
| SCHEMBL197121 | 0.80 | — | — | |
| SCHEMBL197122 | 0.80 | — | — | |
| SCHEMBL30165075 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9807456 | 0.78 | PTGS1 (0.39) | — | |
| SCHEMBL2991431 | 0.78 | — | — | |
| SCHEMBL4263221 | 0.78 | — | — | |
| SCHEMBL8345827 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8945317 | 0.78 | PTGS1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1313738-A4 | PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS | IMMUNOGEN INC (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1313738-A1 | PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS | Immunogen, Inc. (US) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002016368-A1 | PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS | IMMUNOGEN, INC. (US) | 2002-02-28 | — | — | WO | disclosed |
| EP-0784629-A1 | PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES | Chiroscience Limited (GB) | 1997-07-23 | — | — | EP | disclosed |
| WO-1996011209-A1 | PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES | CHIROSCIENCE LIMITED (GB) | 1996-04-18 | — | — | WO | disclosed |