⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL9548508 | 0.84 | ESR1 (0.44) | — | |
| SCHEMBL2267415 | 0.80 | ESR2 (0.46) | — | |
| SCHEMBL297828 | 0.80 | ESR2 (0.46) | — | |
| SCHEMBL27912 | 0.80 | ESR2 (0.46) | — | |
| SCHEMBL1316560 | 0.80 | ESR2 (0.46) | — | |
| SCHEMBL130642 | 0.80 | ESR2 (0.46) | — | |
| SCHEMBL4610 | 0.80 | — | — | |
| SCHEMBL8056724 | 0.78 | ESR1 (0.34) | — | |
| SCHEMBL9457916 | 0.78 | ESR1 (0.34) | — | |
| SCHEMBL1040804 | 0.78 | ESR1 (0.34) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1318400-C | Process for the preparation of 1-(mercaptomethyl)-cyclopropaneacetic acid | DELMAR CHEMICALS INC (CA) | 2007-05-30 | — | — | CN | claimed |
| CN-1628096-A | Process for the preparation of 1-(mercaptomethyl)-cyclopropaneacetic acid | DELMAR CHEMICALS INC (CA) | 2005-06-15 | — | — | CN | claimed |
| CN-1072218-C | Process for preparing 1- (mercaptomethyl) cyclopropaneacetic acid | MERCK & CO INC (US) | 2001-10-03 | — | — | CN | claimed |
| CN-1172481-A | Process for preparation of 1 -(thiomethyl) -cyclopropaneacetic acid | MERCK & CO INC (US) | 1998-02-04 | — | — | CN | claimed |
| CN-113943231-A | Preparation method of 1-hydroxymethyl cyclopropyl acetonitrile | 能特科技有限公司 | 2022-01-18 | — | — | CN | disclosed |
| CN-1318400-C | Process for the preparation of 1-(mercaptomethyl)-cyclopropaneacetic acid | DELMAR CHEMICALS INC (CA) | 2007-05-30 | — | — | CN | disclosed |
| CN-1628096-A | Process for the preparation of 1-(mercaptomethyl)-cyclopropaneacetic acid | DELMAR CHEMICALS INC (CA) | 2005-06-15 | — | — | CN | disclosed |
| CN-1072218-C | Process for preparing 1- (mercaptomethyl) cyclopropaneacetic acid | MERCK & CO INC (US) | 2001-10-03 | — | — | CN | disclosed |
| CN-1172481-A | Process for preparation of 1 -(thiomethyl) -cyclopropaneacetic acid | MERCK & CO INC (US) | 1998-02-04 | — | — | CN | disclosed |
| US-5639780-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1997-06-17 | — | — | US | disclosed |
| US-5604253-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS | MERCK FROSST CANADA, INC. (CA) | 1997-02-18 | — | — | US | disclosed |
| WO-1996037467-A1 | N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-28 | — | — | WO | disclosed |
| WO-1996037469-A1 | N-BENZYLINDOL-3-YL PROPANIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-28 | — | — | WO | disclosed |