⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13745905 | 1.00 | EPHX1 (0.46) | — | |
| SCHEMBL15283192 | 1.00 | EPHX1 (0.46) | — | |
| SCHEMBL15282804 | 1.00 | EPHX1 (0.46) | — | |
| SCHEMBL15283021 | 1.00 | EPHX1 (0.46) | — | |
| SCHEMBL9816113 | 1.00 | EPHX1 (0.46) | — | |
| Bromide SCHEMBL29006840 | 0.97 | EPHX1 (0.45) | — | |
| SCHEMBL7004298 | 0.97 | — | — | |
| SCHEMBL4769334 | 0.88 | — | — | |
| SCHEMBL13745196 | 0.87 | LPAR2 (0.50) | — | |
| SCHEMBL185163 | 0.80 | THRB (0.47) | — |
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-9399735-B2 | Mannich-base inhibitor for decalcification, preparation method and application thereof | PETROCHINA COMPANY LIMITED (CN) | 2016-07-26 | — | — | US | claimed |
| US-20130256602-A1 | MANNICH-BASE INHIBITOR FOR DECALCIFICATION, PREPARATION METHOD AND APPLICATION THEREOF | PETROCHINA COMPANY LIMITED (CN) | 2013-10-03 | — | — | US | claimed |
| US-9399735-B2 | Mannich-base inhibitor for decalcification, preparation method and application thereof | PETROCHINA COMPANY LIMITED (CN) | 2016-07-26 | — | — | US | disclosed |
| US-20130256602-A1 | MANNICH-BASE INHIBITOR FOR DECALCIFICATION, PREPARATION METHOD AND APPLICATION THEREOF | PETROCHINA COMPANY LIMITED (CN) | 2013-10-03 | — | — | US | disclosed |
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-6639070-B1 | 4-substituted 1,3,4-oxadiazines; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-28 | — | — | US | disclosed |
| EP-1187819-B1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AG (DE) | 2003-07-23 | — | — | EP | disclosed |
| EP-1127053-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000026194-A1 | NOVEL 1-ARYL-4-THIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-11 | — | — | WO | disclosed |