⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL485954 | 1.00 | — | — | |
| SCHEMBL6523651 | 1.00 | — | — | |
| SCHEMBL6670997 | 0.97 | — | — | |
| SCHEMBL3660515 | 0.97 | CYP2D6 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28935836 | 0.97 | — | — | |
| SCHEMBL24516945 | 0.97 | CYP2D6 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28935864 | 0.97 | — | — | |
| SCHEMBL13220625 | 0.97 | CYP2D6 (0.37) | — | |
| SCHEMBL21337613 | 0.97 | — | — | |
| SCHEMBL29280654 | 0.97 | CYP2D6 (0.37) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3788049-B1 | C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS | REVOLUTION MEDICINES INC (US) | 2023-03-29 | — | — | EP | disclosed |
| EP-3768668-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | Relay Therapeutics, Inc. (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019183367-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | disclosed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |
| EP-1612207-B1 | Processes and intermediates for preparing 2-substituted piperidine stereoisomers | CELGENE CORP (US) | 2009-01-07 | — | — | EP | disclosed |
| EP-0067480-A1 | Novel mono - and bisquaternary ammonium derivatives of 2-beta, 16-beta-diamino-5-alpha-androstane derivatives and pharmaceutical preparations containing same | AKZO N.V. (NL) | 1982-12-22 | — | — | EP | disclosed |