⚠ 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 SCHEMBL27527265 | 0.97 | — | — | |
| Water SCHEMBL28020882 | 0.79 | TP53 (0.42) | — | |
| Methylmalonic Acid SCHEMBL18991309 | 0.78 | TP53 (0.47) | — | |
| Methylmalonic Acid SCHEMBL27548434 | 0.77 | — | — | |
| SCHEMBL3118270 | 0.77 | — | — | |
| SCHEMBL1051612 | 0.75 | — | — | |
| SCHEMBL7856029 | 0.75 | — | — | |
| Methylmalonic Acid SCHEMBL5874309 | 0.74 | TP53 (0.50) | — | |
| Methylmalonic Acid SCHEMBL9357540 | 0.74 | TP53 (0.50) | — | |
| Methylmalonic Acid SCHEMBL29072902 | 0.74 | TP53 (0.50) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-0709386-B1 | FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | YAMANOUCHI PHARMA CO LTD (JP) | 2003-05-07 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| EP-1097920-A1 | Intermediate for condensed benzazepine derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| US-5856564-A | CHEMICAL INTERMEDIATE FOR VASOPRESSIN ANTAGONIST | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1999-01-05 | — | — | US | disclosed |
| US-5723606-A | Condensed benzazepine derivative and pharmaceutical composition thereof | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0709386-A1 | FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-05-01 | — | — | EP | disclosed |
| EP-0668857-A1 | PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS | AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) | 1995-08-30 | — | — | EP | disclosed |
| WO-1994011357-A1 | PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS | AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO (A.C.R.A.F.) S.P.A. (IT) | 1994-05-26 | — | — | WO | disclosed |