⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27602083 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL28204525 | 0.64 | BRD4 (0.34) | — | |
| SCHEMBL27790260 | 0.64 | CHRNB4 (0.33) | — | |
| SCHEMBL27699172 | 0.64 | — | — | |
| SCHEMBL27606465 | 0.62 | P2RX4 (0.35) | — | |
| SCHEMBL1661825 | 0.61 | ERN1 (0.37) | — | |
| SCHEMBL27841613 | 0.60 | ESR1 (0.36) | — | |
| SCHEMBL29209108 | 0.60 | KMO (0.40) | — | |
| SCHEMBL27859215 | 0.60 | MEN1 (0.34) | — | |
| SCHEMBL24722735 | 0.58 | MAPT (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101146799-A | Cgrp-antagonists, process for their preparation as well as their use as medicaments | BOEHRINGER INGELHEIM INT (DE) | 2008-03-19 | — | — | CN | disclosed |