⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5796141 | 0.86 | NPC1 (0.37) | — | |
| SCHEMBL5586074 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL1480946 | 0.71 | — | — | |
| SCHEMBL6077911 | 0.69 | — | — | |
| SCHEMBL3475588 | 0.69 | — | — | |
| SCHEMBL11660616 | 0.67 | — | — | |
| SCHEMBL10811126 | 0.66 | — | — | |
| SCHEMBL14378315 | 0.66 | ESR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL23122863 | 0.65 | — | — | |
| SCHEMBL16344920 | 0.63 | NPC1 (0.33) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0936207-B1 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO (JP) | 2002-06-05 | — | — | EP | claimed |
| US-6180835-B1 | RETRO-ETHYNYLATION PROCESS OF A CYCLOPROPYLPROPYNOL COMPOUND; PREPARING AN INTERMEDIATE IN SYNTHESIS OF DRUG HAVING ANTI-HIV ACTIVITY | KURARAY CO., LTD. (JP) | 2001-01-30 | — | — | US | claimed |
| EP-0936207-A2 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO., LTD. (JP) | 1999-08-18 | — | — | EP | claimed |
| CN-1129567-C | Process for preparation of cyclopropylacetylene derivatives | KURARAY CO (JP) | 2003-12-03 | — | — | CN | disclosed |
| EP-0936207-B1 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO (JP) | 2002-06-05 | — | — | EP | disclosed |
| US-6180835-B1 | RETRO-ETHYNYLATION PROCESS OF A CYCLOPROPYLPROPYNOL COMPOUND; PREPARING AN INTERMEDIATE IN SYNTHESIS OF DRUG HAVING ANTI-HIV ACTIVITY | KURARAY CO., LTD. (JP) | 2001-01-30 | — | — | US | disclosed |
| US-6180835-B1 | RETRO-ETHYNYLATION PROCESS OF A CYCLOPROPYLPROPYNOL COMPOUND; PREPARING AN INTERMEDIATE IN SYNTHESIS OF DRUG HAVING ANTI-HIV ACTIVITY | KURARAY CO., LTD. (JP) | 2001-01-30 | — | — | US | disclosed |
| CN-1232815-A | Process for preparation of cyclopropylacetylene derivatives | KURARAY CO (JP) | 1999-10-27 | — | — | CN | disclosed |
| EP-0936207-A3 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO., LTD. (JP) | 1999-10-06 | — | — | EP | disclosed |
| EP-0936207-A2 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO., LTD. (JP) | 1999-08-18 | — | — | EP | disclosed |
| EP-0936207-A2 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO., LTD. (JP) | 1999-08-18 | — | — | EP | disclosed |