⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21766160 | 1.00 | — | — | |
| SCHEMBL8084905 | 0.98 | CHRM2 (0.45) | — | |
| SCHEMBL4578897 | 0.98 | CHRM2 (0.45) | — | |
| SCHEMBL8084940 | 0.98 | CHRM2 (0.45) | — | |
| SCHEMBL4453321 | 0.86 | CHRM2 (0.44) | — | |
| SCHEMBL9557434 | 0.85 | CHRM2 (0.42) | — | |
| SCHEMBL8072720 | 0.80 | — | — | |
| SCHEMBL455134 | 0.80 | — | — | |
| SCHEMBL5257989 | 0.80 | — | — | |
| SCHEMBL20367468 | 0.80 | CHRM2 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11053260-B2 | Tri-cycle compound and applications thereof | FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) | 2021-07-06 | — | — | US | disclosed |
| EP-3587420-B1 | TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF | FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) | 2021-03-31 | — | — | EP | disclosed |
| US-20200247819-A1 | TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF | FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) | 2020-08-06 | — | — | US | disclosed |
| EP-2953941-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2015-12-16 | — | — | EP | disclosed |
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |