⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11617099 | 0.76 | MAPT (0.46) | — | |
| SCHEMBL432006 | 0.74 | MAPT (0.54) | — | |
| SCHEMBL108518 | 0.72 | — | — | |
| SCHEMBL21247206 | 0.72 | — | — | |
| SCHEMBL11860440 | 0.72 | MAPT (0.42) | — | |
| SCHEMBL569284 | 0.70 | — | — | |
| SCHEMBL28103082 | 0.70 | — | — | |
| SCHEMBL7056602 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL8676575 | 0.68 | MAPT (0.48) | — | |
| SCHEMBL11615206 | 0.67 | MAPT (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689649-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2022-07-19 | — | — | CN | disclosed |
| US-10730868-B2 | Bicyclic heteroaryl substituted compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-04 | — | — | US | disclosed |
| EP-3484881-B1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2020-04-29 | — | — | EP | disclosed |
| US-20190300520-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2019-10-03 | — | — | US | disclosed |
| WO-2018013770-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |