SCHEMBL4475210

SCHEMBL4475210

[CH]C#CCC

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Ethyne SCHEMBL5815147 0.73
SCHEMBL7109 0.71
SCHEMBL1894280 0.71
SCHEMBL4486452 0.69
SCHEMBL592736 0.67
SCHEMBL31122211 0.67 ALDH1A1 (0.39)
SCHEMBL6477525 0.64
SCHEMBL31627463 0.64
SCHEMBL302044 0.64
SCHEMBL562805 0.62

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO claimed
US-20240197888-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-06-20 US disclosed
US-20240199553-A1 DIFLUOROMETHYLATION REACTION OF HETEROCYCLIC RING USING TETRAFLUOROETHYLENE AGC Inc. (JP) 2024-06-20 US disclosed
EP-4385977-A1 DIFLUOROMETHYLATION REACTION OF HETEROCYCLIC RING USING TETRAFLUOROETHYLENE AGC INC. (JP) 2024-06-19 EP disclosed
US-20240190883-A1 KRAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2024-06-13 US disclosed
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO disclosed
US-20240190885-A1 KRAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX INC (US) 2024-06-13 US disclosed
WO-2024120466-A1 MONOSACCARIDES, PHARMACEUTICAL COMPOSITIONS, AND DIAGNOSTIC AND THERAPEUTIC APPLICATIONS SURIO THERAPEUTICS CO., LTD (CN) 2024-06-13 WO disclosed
WO-2024120467-A1 PHOSPHORAMIDATE MONOSACCHARIDES, PHARMACEUTICAL COMPOSITIONS, AND DIAGNOSTIC AND THERAPEUTIC APPLICATIONS SURIO THERAPEUTICS CO. LTD (CN) 2024-06-13 WO disclosed
US-20240174643-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2024-05-30 US disclosed
US-20040063584-A1 Benzazolonylcarbonylcyclohexenones and their use ss herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-04-01 US disclosed
US-20040033899-A1 5[(pyrazol-4-yl)carbonyl]benzazolone as herbicide BASF AKTIENGESELLSCHAFT (DE) 2004-02-19 US disclosed
US-6589915-B1 The invention relates to cyclohexenone derivatives of benzo-condensed, unsaturated 5-ring nitrogen heterocycles of general formula (I) wherein X represents N or a group C-R3, Y represents O, S, SO, SO2 or NR4 or X-Y represent S BASF AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed
WO-2003037869-A1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 WO disclosed
WO-2003037877-A1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3β INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 WO disclosed
WO-2003037891-A1 HETEROARYL AMINES AS GLYCOGEN SYNTHASE KINASE 3BETA INHIBITORS (GSK3 INHIBITORS) JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 WO disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6352959-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
EP-0332387-B1 Triazole derivatives, their preparation and their use as fungicides SANKYO CO (JP) 1993-11-24 EP disclosed
EP-0332387-A1 Triazole derivatives, their preparation and their use as fungicides Sankyo Company Limited (JP) 1989-09-13 EP disclosed