⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16444953 | 0.85 | NOS3 (0.39) | — | |
| SCHEMBL19125511 | 0.85 | NOS3 (0.39) | — | |
| SCHEMBL22810848 | 0.84 | EPHX2 (0.37) | — | |
| SCHEMBL15185709 | 0.84 | EPHX2 (0.37) | — | |
| SCHEMBL24322924 | 0.80 | CYP1A2 (0.38) | — | |
| SCHEMBL14616045 | 0.80 | CYP1A2 (0.38) | — | |
| SCHEMBL199930 | 0.78 | EPHX2 (0.52) | — | |
| SCHEMBL23465669 | 0.78 | — | — | |
| SCHEMBL15537284 | 0.78 | NCF1 (0.44) | — | |
| SCHEMBL17268183 | 0.78 | NCF1 (0.44) | — |
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-4238967-A1 | ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2023-09-06 | — | — | EP | disclosed |
| WO-2020182018-A1 | NITROGEN HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2020-09-17 | — | — | WO | disclosed |
| EP-3617221-A1 | CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2020-03-04 | — | — | EP | disclosed |
| WO-2019141096-A1 | SUBSTITUTED UREA COMPOUND AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |
| WO-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |